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From: Chandra Ramananjara (mozart20d_at_yahoo.com)
Date: Wed Jun 21 2006 - 19:55:01 CDT
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Hi Peter,
Thanks for your email. The version of VMD that I'm using is VMD for Linux, version 1.8.4b6 (December 22, 2005).
Thanks, attached to this email is the psf/pdb combo in which the pdb file has the CRYST header, I tried namdenergy on this combo just now and I'm still getting the null results. The pdb file was created using the writepdb command (in VMD) to save the coordinates of a particular frame (frame 78) of the trajectory.
Yes you're right, if namdenergy is run on a loaded dcd file, it will loop over the trajectory, and the selected atoms of interest (whose interaction energies are to be calcuated) will be updated in each frame. My case is different. In each frame, the atoms of interest (whose interaction energies I want to calculate) are different from frame to frame so its not as straightforward as using just one selection of atoms for all frames. I think the example script I posted in my last email must have confused you, because the atoms of interest were all oxygens. I just did this to simplify the script.
In the actual script I'm writing, the selection of the atoms of interest (whose interaction energy I want to calculate) is more complicated and the atoms of interest vary from frame to frame so using one selection text (e.g. [atomselect top "name C"]) for all frames in the trajectory is not an option.
Do you think it might be my version of VMD ? I think the version I'm using (1.8.4b6) is a relatively new version. The pdb/psf combo I'm having problems with are attached to the email. Thanks.
-Chandra
Peter Freddolino <petefred_at_ks.uiuc.edu> wrote:
Hi Chandra,
a couple things here... could you let us know what version of VMD you're
using, and on what platform?
Namdenergy uses NAMD itself for the actual energy calculations so it
seems very odd that changing the CRYST header causes a problem (indeed,
I have used it many times in cases where it hasn't caused a problem,
hence my confusion--in fact, it just worked ok for me now). Perhaps you
could send me one of the pdb/psf combos that fails?
Also, just for your information, if you run namdenergy on a loaded dcd
it will automatically loop over the trajectory; there's no need to run
each frame separately.
Peter
Chandra Ramananjara wrote:
> Hi all,
> I am observing a strange error in namdenergy. I am using the
> text-based version of namdenergy in VMD (in text mode) which can be
> called using the command 'package require namdenergy'.
> Here is the problem. I have a dcd file and I want to step through each
> frame and calculate energies for interactions between various atoms.
> So, for each frame of the dcd file, I select all the atoms and write
> them to a pdb file (called temp.pdb) and then load the pdb file (along
> with a general psf file) so I can run namdenergy on the atoms in that
> PDB file. So, for example, the script for looping through 1000 dcd
> frames is something like this:
>
> for { set i 0 } { $i < 1000 } { incr i 1 } {
>
> molinfo top set frame $i
> set all [atomselect top all]
> $all writepdb TEMP.pdb
> mol load psf base.psf pdb TEMP.pdb
> set group [atomselect top "name O"]
> namdenergy -nonb -sel $group -par param.inp
>
> }
>
> The problem I encounter is that the results I get from namdenergy are
> always 0 (obviously wrong).
> But when I open the TEMP.pdb file (generated in VMD using writepdb) I
> notice the first line in the PDB file is something like: "CRYST1 24 24
> 24 90.0 90.0 90.0". This line is the first line in every PDB file
> generated using VMD's writepdb command. It specifies the unit cell
> length and angles.
> I notice that if I delete this line, reload the PDB file into VMD and
> re-run namdenergy, I get the right answer for the energy. It seems the
> namdenergy program cannot recognize PDB files with the "CRYST1...."
> header.
> Unfortunately, all PDB files generated using the writepdb command in
> VMD have this header. As I mentioned, manually deleting this header
> allows namdenergy to recognize the PDB file and gives right answers.
> But since I want everything to be automated, programmatically (using
> Tcl file commands) deleting the header of every generated PDB file
> would use up valuable computational time. Is there any workaround ?
> And does anybody have any idea why namdenergy refuses to recognize PDB
> files with the "CRYST1...." header ?
>
> Thanks,
> Chandra
>
> ------------------------------------------------------------------------
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>
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PSF
3 !NTITLE
REMARKS original generated structure x-plor psf file
REMARKS topology top_all27_prot_lipid.inp
REMARKS segment T { first NONE; last NONE; auto angles dihedrals }
1291 !NATOM
1 T 1 MOH C CT3 0.459976 12.0110 0
2 T 1 MOH HA HA -0.051230 1.0080 0
3 T 1 MOH HB HA -0.051212 1.0080 0
4 T 1 MOH HC HA 0.000251 1.0080 0
5 T 1 MOH O OH1 -0.839748 15.9990 0
6 T 1 MOH H H 0.481963 1.0080 0
7 T 2 MOH C CT3 0.459976 12.0110 0
8 T 2 MOH HA HA -0.051230 1.0080 0
9 T 2 MOH HB HA -0.051212 1.0080 0
10 T 2 MOH HC HA 0.000251 1.0080 0
11 T 2 MOH O OH1 -0.839748 15.9990 0
12 T 2 MOH H H 0.481963 1.0080 0
13 T 3 MOH C CT3 0.459976 12.0110 0
14 T 3 MOH HA HA -0.051230 1.0080 0
15 T 3 MOH HB HA -0.051212 1.0080 0
16 T 3 MOH HC HA 0.000251 1.0080 0
17 T 3 MOH O OH1 -0.839748 15.9990 0
18 T 3 MOH H H 0.481963 1.0080 0
19 T 4 MOH C CT3 0.459976 12.0110 0
20 T 4 MOH HA HA -0.051230 1.0080 0
21 T 4 MOH HB HA -0.051212 1.0080 0
22 T 4 MOH HC HA 0.000251 1.0080 0
23 T 4 MOH O OH1 -0.839748 15.9990 0
24 T 4 MOH H H 0.481963 1.0080 0
25 T 5 MOH C CT3 0.459976 12.0110 0
26 T 5 MOH HA HA -0.051230 1.0080 0
27 T 5 MOH HB HA -0.051212 1.0080 0
28 T 5 MOH HC HA 0.000251 1.0080 0
29 T 5 MOH O OH1 -0.839748 15.9990 0
30 T 5 MOH H H 0.481963 1.0080 0
31 T 6 MOH C CT3 0.459976 12.0110 0
32 T 6 MOH HA HA -0.051230 1.0080 0
33 T 6 MOH HB HA -0.051212 1.0080 0
34 T 6 MOH HC HA 0.000251 1.0080 0
35 T 6 MOH O OH1 -0.839748 15.9990 0
36 T 6 MOH H H 0.481963 1.0080 0
37 T 7 MOH C CT3 0.459976 12.0110 0
38 T 7 MOH HA HA -0.051230 1.0080 0
39 T 7 MOH HB HA -0.051212 1.0080 0
40 T 7 MOH HC HA 0.000251 1.0080 0
41 T 7 MOH O OH1 -0.839748 15.9990 0
42 T 7 MOH H H 0.481963 1.0080 0
43 T 8 MOH C CT3 0.459976 12.0110 0
44 T 8 MOH HA HA -0.051230 1.0080 0
45 T 8 MOH HB HA -0.051212 1.0080 0
46 T 8 MOH HC HA 0.000251 1.0080 0
47 T 8 MOH O OH1 -0.839748 15.9990 0
48 T 8 MOH H H 0.481963 1.0080 0
49 T 9 MOH C CT3 0.459976 12.0110 0
50 T 9 MOH HA HA -0.051230 1.0080 0
51 T 9 MOH HB HA -0.051212 1.0080 0
52 T 9 MOH HC HA 0.000251 1.0080 0
53 T 9 MOH O OH1 -0.839748 15.9990 0
54 T 9 MOH H H 0.481963 1.0080 0
55 T 10 MOH C CT3 0.459976 12.0110 0
56 T 10 MOH HA HA -0.051230 1.0080 0
57 T 10 MOH HB HA -0.051212 1.0080 0
58 T 10 MOH HC HA 0.000251 1.0080 0
59 T 10 MOH O OH1 -0.839748 15.9990 0
60 T 10 MOH H H 0.481963 1.0080 0
61 T 11 MOH C CT3 0.459976 12.0110 0
62 T 11 MOH HA HA -0.051230 1.0080 0
63 T 11 MOH HB HA -0.051212 1.0080 0
64 T 11 MOH HC HA 0.000251 1.0080 0
65 T 11 MOH O OH1 -0.839748 15.9990 0
66 T 11 MOH H H 0.481963 1.0080 0
67 T 12 MOH C CT3 0.459976 12.0110 0
68 T 12 MOH HA HA -0.051230 1.0080 0
69 T 12 MOH HB HA -0.051212 1.0080 0
70 T 12 MOH HC HA 0.000251 1.0080 0
71 T 12 MOH O OH1 -0.839748 15.9990 0
72 T 12 MOH H H 0.481963 1.0080 0
73 T 13 MOH C CT3 0.459976 12.0110 0
74 T 13 MOH HA HA -0.051230 1.0080 0
75 T 13 MOH HB HA -0.051212 1.0080 0
76 T 13 MOH HC HA 0.000251 1.0080 0
77 T 13 MOH O OH1 -0.839748 15.9990 0
78 T 13 MOH H H 0.481963 1.0080 0
79 T 14 MOH C CT3 0.459976 12.0110 0
80 T 14 MOH HA HA -0.051230 1.0080 0
81 T 14 MOH HB HA -0.051212 1.0080 0
82 T 14 MOH HC HA 0.000251 1.0080 0
83 T 14 MOH O OH1 -0.839748 15.9990 0
84 T 14 MOH H H 0.481963 1.0080 0
85 T 15 MOH C CT3 0.459976 12.0110 0
86 T 15 MOH HA HA -0.051230 1.0080 0
87 T 15 MOH HB HA -0.051212 1.0080 0
88 T 15 MOH HC HA 0.000251 1.0080 0
89 T 15 MOH O OH1 -0.839748 15.9990 0
90 T 15 MOH H H 0.481963 1.0080 0
91 T 16 MOH C CT3 0.459976 12.0110 0
92 T 16 MOH HA HA -0.051230 1.0080 0
93 T 16 MOH HB HA -0.051212 1.0080 0
94 T 16 MOH HC HA 0.000251 1.0080 0
95 T 16 MOH O OH1 -0.839748 15.9990 0
96 T 16 MOH H H 0.481963 1.0080 0
97 T 17 MOH C CT3 0.459976 12.0110 0
98 T 17 MOH HA HA -0.051230 1.0080 0
99 T 17 MOH HB HA -0.051212 1.0080 0
100 T 17 MOH HC HA 0.000251 1.0080 0
101 T 17 MOH O OH1 -0.839748 15.9990 0
102 T 17 MOH H H 0.481963 1.0080 0
103 T 18 MOH C CT3 0.459976 12.0110 0
104 T 18 MOH HA HA -0.051230 1.0080 0
105 T 18 MOH HB HA -0.051212 1.0080 0
106 T 18 MOH HC HA 0.000251 1.0080 0
107 T 18 MOH O OH1 -0.839748 15.9990 0
108 T 18 MOH H H 0.481963 1.0080 0
109 T 19 MOH C CT3 0.459976 12.0110 0
110 T 19 MOH HA HA -0.051230 1.0080 0
111 T 19 MOH HB HA -0.051212 1.0080 0
112 T 19 MOH HC HA 0.000251 1.0080 0
113 T 19 MOH O OH1 -0.839748 15.9990 0
114 T 19 MOH H H 0.481963 1.0080 0
115 T 20 MOH C CT3 0.459976 12.0110 0
116 T 20 MOH HA HA -0.051230 1.0080 0
117 T 20 MOH HB HA -0.051212 1.0080 0
118 T 20 MOH HC HA 0.000251 1.0080 0
119 T 20 MOH O OH1 -0.839748 15.9990 0
120 T 20 MOH H H 0.481963 1.0080 0
121 T 21 MOH C CT3 0.459976 12.0110 0
122 T 21 MOH HA HA -0.051230 1.0080 0
123 T 21 MOH HB HA -0.051212 1.0080 0
124 T 21 MOH HC HA 0.000251 1.0080 0
125 T 21 MOH O OH1 -0.839748 15.9990 0
126 T 21 MOH H H 0.481963 1.0080 0
127 T 22 MOH C CT3 0.459976 12.0110 0
128 T 22 MOH HA HA -0.051230 1.0080 0
129 T 22 MOH HB HA -0.051212 1.0080 0
130 T 22 MOH HC HA 0.000251 1.0080 0
131 T 22 MOH O OH1 -0.839748 15.9990 0
132 T 22 MOH H H 0.481963 1.0080 0
133 T 23 MOH C CT3 0.459976 12.0110 0
134 T 23 MOH HA HA -0.051230 1.0080 0
135 T 23 MOH HB HA -0.051212 1.0080 0
136 T 23 MOH HC HA 0.000251 1.0080 0
137 T 23 MOH O OH1 -0.839748 15.9990 0
138 T 23 MOH H H 0.481963 1.0080 0
139 T 24 MOH C CT3 0.459976 12.0110 0
140 T 24 MOH HA HA -0.051230 1.0080 0
141 T 24 MOH HB HA -0.051212 1.0080 0
142 T 24 MOH HC HA 0.000251 1.0080 0
143 T 24 MOH O OH1 -0.839748 15.9990 0
144 T 24 MOH H H 0.481963 1.0080 0
145 T 25 MOH C CT3 0.459976 12.0110 0
146 T 25 MOH HA HA -0.051230 1.0080 0
147 T 25 MOH HB HA -0.051212 1.0080 0
148 T 25 MOH HC HA 0.000251 1.0080 0
149 T 25 MOH O OH1 -0.839748 15.9990 0
150 T 25 MOH H H 0.481963 1.0080 0
151 T 26 MOH C CT3 0.459976 12.0110 0
152 T 26 MOH HA HA -0.051230 1.0080 0
153 T 26 MOH HB HA -0.051212 1.0080 0
154 T 26 MOH HC HA 0.000251 1.0080 0
155 T 26 MOH O OH1 -0.839748 15.9990 0
156 T 26 MOH H H 0.481963 1.0080 0
157 T 27 MOH C CT3 0.459976 12.0110 0
158 T 27 MOH HA HA -0.051230 1.0080 0
159 T 27 MOH HB HA -0.051212 1.0080 0
160 T 27 MOH HC HA 0.000251 1.0080 0
161 T 27 MOH O OH1 -0.839748 15.9990 0
162 T 27 MOH H H 0.481963 1.0080 0
163 T 28 MOH C CT3 0.459976 12.0110 0
164 T 28 MOH HA HA -0.051230 1.0080 0
165 T 28 MOH HB HA -0.051212 1.0080 0
166 T 28 MOH HC HA 0.000251 1.0080 0
167 T 28 MOH O OH1 -0.839748 15.9990 0
168 T 28 MOH H H 0.481963 1.0080 0
169 T 29 MOH C CT3 0.459976 12.0110 0
170 T 29 MOH HA HA -0.051230 1.0080 0
171 T 29 MOH HB HA -0.051212 1.0080 0
172 T 29 MOH HC HA 0.000251 1.0080 0
173 T 29 MOH O OH1 -0.839748 15.9990 0
174 T 29 MOH H H 0.481963 1.0080 0
175 T 30 MOH C CT3 0.459976 12.0110 0
176 T 30 MOH HA HA -0.051230 1.0080 0
177 T 30 MOH HB HA -0.051212 1.0080 0
178 T 30 MOH HC HA 0.000251 1.0080 0
179 T 30 MOH O OH1 -0.839748 15.9990 0
180 T 30 MOH H H 0.481963 1.0080 0
181 T 31 MOH C CT3 0.459976 12.0110 0
182 T 31 MOH HA HA -0.051230 1.0080 0
183 T 31 MOH HB HA -0.051212 1.0080 0
184 T 31 MOH HC HA 0.000251 1.0080 0
185 T 31 MOH O OH1 -0.839748 15.9990 0
186 T 31 MOH H H 0.481963 1.0080 0
187 T 32 MOH C CT3 0.459976 12.0110 0
188 T 32 MOH HA HA -0.051230 1.0080 0
189 T 32 MOH HB HA -0.051212 1.0080 0
190 T 32 MOH HC HA 0.000251 1.0080 0
191 T 32 MOH O OH1 -0.839748 15.9990 0
192 T 32 MOH H H 0.481963 1.0080 0
193 T 33 MOH C CT3 0.459976 12.0110 0
194 T 33 MOH HA HA -0.051230 1.0080 0
195 T 33 MOH HB HA -0.051212 1.0080 0
196 T 33 MOH HC HA 0.000251 1.0080 0
197 T 33 MOH O OH1 -0.839748 15.9990 0
198 T 33 MOH H H 0.481963 1.0080 0
199 T 34 MOH C CT3 0.459976 12.0110 0
200 T 34 MOH HA HA -0.051230 1.0080 0
201 T 34 MOH HB HA -0.051212 1.0080 0
202 T 34 MOH HC HA 0.000251 1.0080 0
203 T 34 MOH O OH1 -0.839748 15.9990 0
204 T 34 MOH H H 0.481963 1.0080 0
205 T 35 MOH C CT3 0.459976 12.0110 0
206 T 35 MOH HA HA -0.051230 1.0080 0
207 T 35 MOH HB HA -0.051212 1.0080 0
208 T 35 MOH HC HA 0.000251 1.0080 0
209 T 35 MOH O OH1 -0.839748 15.9990 0
210 T 35 MOH H H 0.481963 1.0080 0
211 T 36 MOH C CT3 0.459976 12.0110 0
212 T 36 MOH HA HA -0.051230 1.0080 0
213 T 36 MOH HB HA -0.051212 1.0080 0
214 T 36 MOH HC HA 0.000251 1.0080 0
215 T 36 MOH O OH1 -0.839748 15.9990 0
216 T 36 MOH H H 0.481963 1.0080 0
217 T 37 MOH C CT3 0.459976 12.0110 0
218 T 37 MOH HA HA -0.051230 1.0080 0
219 T 37 MOH HB HA -0.051212 1.0080 0
220 T 37 MOH HC HA 0.000251 1.0080 0
221 T 37 MOH O OH1 -0.839748 15.9990 0
222 T 37 MOH H H 0.481963 1.0080 0
223 T 38 MOH C CT3 0.459976 12.0110 0
224 T 38 MOH HA HA -0.051230 1.0080 0
225 T 38 MOH HB HA -0.051212 1.0080 0
226 T 38 MOH HC HA 0.000251 1.0080 0
227 T 38 MOH O OH1 -0.839748 15.9990 0
228 T 38 MOH H H 0.481963 1.0080 0
229 T 39 MOH C CT3 0.459976 12.0110 0
230 T 39 MOH HA HA -0.051230 1.0080 0
231 T 39 MOH HB HA -0.051212 1.0080 0
232 T 39 MOH HC HA 0.000251 1.0080 0
233 T 39 MOH O OH1 -0.839748 15.9990 0
234 T 39 MOH H H 0.481963 1.0080 0
235 T 40 MOH C CT3 0.459976 12.0110 0
236 T 40 MOH HA HA -0.051230 1.0080 0
237 T 40 MOH HB HA -0.051212 1.0080 0
238 T 40 MOH HC HA 0.000251 1.0080 0
239 T 40 MOH O OH1 -0.839748 15.9990 0
240 T 40 MOH H H 0.481963 1.0080 0
241 T 41 MOH C CT3 0.459976 12.0110 0
242 T 41 MOH HA HA -0.051230 1.0080 0
243 T 41 MOH HB HA -0.051212 1.0080 0
244 T 41 MOH HC HA 0.000251 1.0080 0
245 T 41 MOH O OH1 -0.839748 15.9990 0
246 T 41 MOH H H 0.481963 1.0080 0
247 T 42 MOH C CT3 0.459976 12.0110 0
248 T 42 MOH HA HA -0.051230 1.0080 0
249 T 42 MOH HB HA -0.051212 1.0080 0
250 T 42 MOH HC HA 0.000251 1.0080 0
251 T 42 MOH O OH1 -0.839748 15.9990 0
252 T 42 MOH H H 0.481963 1.0080 0
253 T 43 MOH C CT3 0.459976 12.0110 0
254 T 43 MOH HA HA -0.051230 1.0080 0
255 T 43 MOH HB HA -0.051212 1.0080 0
256 T 43 MOH HC HA 0.000251 1.0080 0
257 T 43 MOH O OH1 -0.839748 15.9990 0
258 T 43 MOH H H 0.481963 1.0080 0
259 T 44 MOH C CT3 0.459976 12.0110 0
260 T 44 MOH HA HA -0.051230 1.0080 0
261 T 44 MOH HB HA -0.051212 1.0080 0
262 T 44 MOH HC HA 0.000251 1.0080 0
263 T 44 MOH O OH1 -0.839748 15.9990 0
264 T 44 MOH H H 0.481963 1.0080 0
265 T 45 MOH C CT3 0.459976 12.0110 0
266 T 45 MOH HA HA -0.051230 1.0080 0
267 T 45 MOH HB HA -0.051212 1.0080 0
268 T 45 MOH HC HA 0.000251 1.0080 0
269 T 45 MOH O OH1 -0.839748 15.9990 0
270 T 45 MOH H H 0.481963 1.0080 0
271 T 46 MOH C CT3 0.459976 12.0110 0
272 T 46 MOH HA HA -0.051230 1.0080 0
273 T 46 MOH HB HA -0.051212 1.0080 0
274 T 46 MOH HC HA 0.000251 1.0080 0
275 T 46 MOH O OH1 -0.839748 15.9990 0
276 T 46 MOH H H 0.481963 1.0080 0
277 T 47 MOH C CT3 0.459976 12.0110 0
278 T 47 MOH HA HA -0.051230 1.0080 0
279 T 47 MOH HB HA -0.051212 1.0080 0
280 T 47 MOH HC HA 0.000251 1.0080 0
281 T 47 MOH O OH1 -0.839748 15.9990 0
282 T 47 MOH H H 0.481963 1.0080 0
283 T 48 MOH C CT3 0.459976 12.0110 0
284 T 48 MOH HA HA -0.051230 1.0080 0
285 T 48 MOH HB HA -0.051212 1.0080 0
286 T 48 MOH HC HA 0.000251 1.0080 0
287 T 48 MOH O OH1 -0.839748 15.9990 0
288 T 48 MOH H H 0.481963 1.0080 0
289 T 49 MOH C CT3 0.459976 12.0110 0
290 T 49 MOH HA HA -0.051230 1.0080 0
291 T 49 MOH HB HA -0.051212 1.0080 0
292 T 49 MOH HC HA 0.000251 1.0080 0
293 T 49 MOH O OH1 -0.839748 15.9990 0
294 T 49 MOH H H 0.481963 1.0080 0
295 T 50 MOH C CT3 0.459976 12.0110 0
296 T 50 MOH HA HA -0.051230 1.0080 0
297 T 50 MOH HB HA -0.051212 1.0080 0
298 T 50 MOH HC HA 0.000251 1.0080 0
299 T 50 MOH O OH1 -0.839748 15.9990 0
300 T 50 MOH H H 0.481963 1.0080 0
301 T 51 MOH C CT3 0.459976 12.0110 0
302 T 51 MOH HA HA -0.051230 1.0080 0
303 T 51 MOH HB HA -0.051212 1.0080 0
304 T 51 MOH HC HA 0.000251 1.0080 0
305 T 51 MOH O OH1 -0.839748 15.9990 0
306 T 51 MOH H H 0.481963 1.0080 0
307 T 52 MOH C CT3 0.459976 12.0110 0
308 T 52 MOH HA HA -0.051230 1.0080 0
309 T 52 MOH HB HA -0.051212 1.0080 0
310 T 52 MOH HC HA 0.000251 1.0080 0
311 T 52 MOH O OH1 -0.839748 15.9990 0
312 T 52 MOH H H 0.481963 1.0080 0
313 T 53 MOH C CT3 0.459976 12.0110 0
314 T 53 MOH HA HA -0.051230 1.0080 0
315 T 53 MOH HB HA -0.051212 1.0080 0
316 T 53 MOH HC HA 0.000251 1.0080 0
317 T 53 MOH O OH1 -0.839748 15.9990 0
318 T 53 MOH H H 0.481963 1.0080 0
319 T 54 MOH C CT3 0.459976 12.0110 0
320 T 54 MOH HA HA -0.051230 1.0080 0
321 T 54 MOH HB HA -0.051212 1.0080 0
322 T 54 MOH HC HA 0.000251 1.0080 0
323 T 54 MOH O OH1 -0.839748 15.9990 0
324 T 54 MOH H H 0.481963 1.0080 0
325 T 55 MOH C CT3 0.459976 12.0110 0
326 T 55 MOH HA HA -0.051230 1.0080 0
327 T 55 MOH HB HA -0.051212 1.0080 0
328 T 55 MOH HC HA 0.000251 1.0080 0
329 T 55 MOH O OH1 -0.839748 15.9990 0
330 T 55 MOH H H 0.481963 1.0080 0
331 T 56 MOH C CT3 0.459976 12.0110 0
332 T 56 MOH HA HA -0.051230 1.0080 0
333 T 56 MOH HB HA -0.051212 1.0080 0
334 T 56 MOH HC HA 0.000251 1.0080 0
335 T 56 MOH O OH1 -0.839748 15.9990 0
336 T 56 MOH H H 0.481963 1.0080 0
337 T 57 MOH C CT3 0.459976 12.0110 0
338 T 57 MOH HA HA -0.051230 1.0080 0
339 T 57 MOH HB HA -0.051212 1.0080 0
340 T 57 MOH HC HA 0.000251 1.0080 0
341 T 57 MOH O OH1 -0.839748 15.9990 0
342 T 57 MOH H H 0.481963 1.0080 0
343 T 58 MOH C CT3 0.459976 12.0110 0
344 T 58 MOH HA HA -0.051230 1.0080 0
345 T 58 MOH HB HA -0.051212 1.0080 0
346 T 58 MOH HC HA 0.000251 1.0080 0
347 T 58 MOH O OH1 -0.839748 15.9990 0
348 T 58 MOH H H 0.481963 1.0080 0
349 T 59 MOH C CT3 0.459976 12.0110 0
350 T 59 MOH HA HA -0.051230 1.0080 0
351 T 59 MOH HB HA -0.051212 1.0080 0
352 T 59 MOH HC HA 0.000251 1.0080 0
353 T 59 MOH O OH1 -0.839748 15.9990 0
354 T 59 MOH H H 0.481963 1.0080 0
355 T 60 MOH C CT3 0.459976 12.0110 0
356 T 60 MOH HA HA -0.051230 1.0080 0
357 T 60 MOH HB HA -0.051212 1.0080 0
358 T 60 MOH HC HA 0.000251 1.0080 0
359 T 60 MOH O OH1 -0.839748 15.9990 0
360 T 60 MOH H H 0.481963 1.0080 0
361 T 61 MOH C CT3 0.459976 12.0110 0
362 T 61 MOH HA HA -0.051230 1.0080 0
363 T 61 MOH HB HA -0.051212 1.0080 0
364 T 61 MOH HC HA 0.000251 1.0080 0
365 T 61 MOH O OH1 -0.839748 15.9990 0
366 T 61 MOH H H 0.481963 1.0080 0
367 T 62 MOH C CT3 0.459976 12.0110 0
368 T 62 MOH HA HA -0.051230 1.0080 0
369 T 62 MOH HB HA -0.051212 1.0080 0
370 T 62 MOH HC HA 0.000251 1.0080 0
371 T 62 MOH O OH1 -0.839748 15.9990 0
372 T 62 MOH H H 0.481963 1.0080 0
373 T 63 MOH C CT3 0.459976 12.0110 0
374 T 63 MOH HA HA -0.051230 1.0080 0
375 T 63 MOH HB HA -0.051212 1.0080 0
376 T 63 MOH HC HA 0.000251 1.0080 0
377 T 63 MOH O OH1 -0.839748 15.9990 0
378 T 63 MOH H H 0.481963 1.0080 0
379 T 64 MOH C CT3 0.459976 12.0110 0
380 T 64 MOH HA HA -0.051230 1.0080 0
381 T 64 MOH HB HA -0.051212 1.0080 0
382 T 64 MOH HC HA 0.000251 1.0080 0
383 T 64 MOH O OH1 -0.839748 15.9990 0
384 T 64 MOH H H 0.481963 1.0080 0
385 T 65 MOH C CT3 0.459976 12.0110 0
386 T 65 MOH HA HA -0.051230 1.0080 0
387 T 65 MOH HB HA -0.051212 1.0080 0
388 T 65 MOH HC HA 0.000251 1.0080 0
389 T 65 MOH O OH1 -0.839748 15.9990 0
390 T 65 MOH H H 0.481963 1.0080 0
391 T 66 MOH C CT3 0.459976 12.0110 0
392 T 66 MOH HA HA -0.051230 1.0080 0
393 T 66 MOH HB HA -0.051212 1.0080 0
394 T 66 MOH HC HA 0.000251 1.0080 0
395 T 66 MOH O OH1 -0.839748 15.9990 0
396 T 66 MOH H H 0.481963 1.0080 0
397 T 67 MOH C CT3 0.459976 12.0110 0
398 T 67 MOH HA HA -0.051230 1.0080 0
399 T 67 MOH HB HA -0.051212 1.0080 0
400 T 67 MOH HC HA 0.000251 1.0080 0
401 T 67 MOH O OH1 -0.839748 15.9990 0
402 T 67 MOH H H 0.481963 1.0080 0
403 T 68 MOH C CT3 0.459976 12.0110 0
404 T 68 MOH HA HA -0.051230 1.0080 0
405 T 68 MOH HB HA -0.051212 1.0080 0
406 T 68 MOH HC HA 0.000251 1.0080 0
407 T 68 MOH O OH1 -0.839748 15.9990 0
408 T 68 MOH H H 0.481963 1.0080 0
409 T 69 MOH C CT3 0.459976 12.0110 0
410 T 69 MOH HA HA -0.051230 1.0080 0
411 T 69 MOH HB HA -0.051212 1.0080 0
412 T 69 MOH HC HA 0.000251 1.0080 0
413 T 69 MOH O OH1 -0.839748 15.9990 0
414 T 69 MOH H H 0.481963 1.0080 0
415 T 70 MOH C CT3 0.459976 12.0110 0
416 T 70 MOH HA HA -0.051230 1.0080 0
417 T 70 MOH HB HA -0.051212 1.0080 0
418 T 70 MOH HC HA 0.000251 1.0080 0
419 T 70 MOH O OH1 -0.839748 15.9990 0
420 T 70 MOH H H 0.481963 1.0080 0
421 T 71 MOH C CT3 0.459976 12.0110 0
422 T 71 MOH HA HA -0.051230 1.0080 0
423 T 71 MOH HB HA -0.051212 1.0080 0
424 T 71 MOH HC HA 0.000251 1.0080 0
425 T 71 MOH O OH1 -0.839748 15.9990 0
426 T 71 MOH H H 0.481963 1.0080 0
427 T 72 MOH C CT3 0.459976 12.0110 0
428 T 72 MOH HA HA -0.051230 1.0080 0
429 T 72 MOH HB HA -0.051212 1.0080 0
430 T 72 MOH HC HA 0.000251 1.0080 0
431 T 72 MOH O OH1 -0.839748 15.9990 0
432 T 72 MOH H H 0.481963 1.0080 0
433 T 73 MOH C CT3 0.459976 12.0110 0
434 T 73 MOH HA HA -0.051230 1.0080 0
435 T 73 MOH HB HA -0.051212 1.0080 0
436 T 73 MOH HC HA 0.000251 1.0080 0
437 T 73 MOH O OH1 -0.839748 15.9990 0
438 T 73 MOH H H 0.481963 1.0080 0
439 T 74 MOH C CT3 0.459976 12.0110 0
440 T 74 MOH HA HA -0.051230 1.0080 0
441 T 74 MOH HB HA -0.051212 1.0080 0
442 T 74 MOH HC HA 0.000251 1.0080 0
443 T 74 MOH O OH1 -0.839748 15.9990 0
444 T 74 MOH H H 0.481963 1.0080 0
445 T 75 MOH C CT3 0.459976 12.0110 0
446 T 75 MOH HA HA -0.051230 1.0080 0
447 T 75 MOH HB HA -0.051212 1.0080 0
448 T 75 MOH HC HA 0.000251 1.0080 0
449 T 75 MOH O OH1 -0.839748 15.9990 0
450 T 75 MOH H H 0.481963 1.0080 0
451 T 76 MOH C CT3 0.459976 12.0110 0
452 T 76 MOH HA HA -0.051230 1.0080 0
453 T 76 MOH HB HA -0.051212 1.0080 0
454 T 76 MOH HC HA 0.000251 1.0080 0
455 T 76 MOH O OH1 -0.839748 15.9990 0
456 T 76 MOH H H 0.481963 1.0080 0
457 T 77 MOH C CT3 0.459976 12.0110 0
458 T 77 MOH HA HA -0.051230 1.0080 0
459 T 77 MOH HB HA -0.051212 1.0080 0
460 T 77 MOH HC HA 0.000251 1.0080 0
461 T 77 MOH O OH1 -0.839748 15.9990 0
462 T 77 MOH H H 0.481963 1.0080 0
463 T 78 MOH C CT3 0.459976 12.0110 0
464 T 78 MOH HA HA -0.051230 1.0080 0
465 T 78 MOH HB HA -0.051212 1.0080 0
466 T 78 MOH HC HA 0.000251 1.0080 0
467 T 78 MOH O OH1 -0.839748 15.9990 0
468 T 78 MOH H H 0.481963 1.0080 0
469 T 79 MOH C CT3 0.459976 12.0110 0
470 T 79 MOH HA HA -0.051230 1.0080 0
471 T 79 MOH HB HA -0.051212 1.0080 0
472 T 79 MOH HC HA 0.000251 1.0080 0
473 T 79 MOH O OH1 -0.839748 15.9990 0
474 T 79 MOH H H 0.481963 1.0080 0
475 T 80 MOH C CT3 0.459976 12.0110 0
476 T 80 MOH HA HA -0.051230 1.0080 0
477 T 80 MOH HB HA -0.051212 1.0080 0
478 T 80 MOH HC HA 0.000251 1.0080 0
479 T 80 MOH O OH1 -0.839748 15.9990 0
480 T 80 MOH H H 0.481963 1.0080 0
481 T 81 MOH C CT3 0.459976 12.0110 0
482 T 81 MOH HA HA -0.051230 1.0080 0
483 T 81 MOH HB HA -0.051212 1.0080 0
484 T 81 MOH HC HA 0.000251 1.0080 0
485 T 81 MOH O OH1 -0.839748 15.9990 0
486 T 81 MOH H H 0.481963 1.0080 0
487 T 82 MOH C CT3 0.459976 12.0110 0
488 T 82 MOH HA HA -0.051230 1.0080 0
489 T 82 MOH HB HA -0.051212 1.0080 0
490 T 82 MOH HC HA 0.000251 1.0080 0
491 T 82 MOH O OH1 -0.839748 15.9990 0
492 T 82 MOH H H 0.481963 1.0080 0
493 T 83 MOH C CT3 0.459976 12.0110 0
494 T 83 MOH HA HA -0.051230 1.0080 0
495 T 83 MOH HB HA -0.051212 1.0080 0
496 T 83 MOH HC HA 0.000251 1.0080 0
497 T 83 MOH O OH1 -0.839748 15.9990 0
498 T 83 MOH H H 0.481963 1.0080 0
499 T 84 MOH C CT3 0.459976 12.0110 0
500 T 84 MOH HA HA -0.051230 1.0080 0
501 T 84 MOH HB HA -0.051212 1.0080 0
502 T 84 MOH HC HA 0.000251 1.0080 0
503 T 84 MOH O OH1 -0.839748 15.9990 0
504 T 84 MOH H H 0.481963 1.0080 0
505 T 85 MOH C CT3 0.459976 12.0110 0
506 T 85 MOH HA HA -0.051230 1.0080 0
507 T 85 MOH HB HA -0.051212 1.0080 0
508 T 85 MOH HC HA 0.000251 1.0080 0
509 T 85 MOH O OH1 -0.839748 15.9990 0
510 T 85 MOH H H 0.481963 1.0080 0
511 T 86 MOH C CT3 0.459976 12.0110 0
512 T 86 MOH HA HA -0.051230 1.0080 0
513 T 86 MOH HB HA -0.051212 1.0080 0
514 T 86 MOH HC HA 0.000251 1.0080 0
515 T 86 MOH O OH1 -0.839748 15.9990 0
516 T 86 MOH H H 0.481963 1.0080 0
517 T 87 MOH C CT3 0.459976 12.0110 0
518 T 87 MOH HA HA -0.051230 1.0080 0
519 T 87 MOH HB HA -0.051212 1.0080 0
520 T 87 MOH HC HA 0.000251 1.0080 0
521 T 87 MOH O OH1 -0.839748 15.9990 0
522 T 87 MOH H H 0.481963 1.0080 0
523 T 88 MOH C CT3 0.459976 12.0110 0
524 T 88 MOH HA HA -0.051230 1.0080 0
525 T 88 MOH HB HA -0.051212 1.0080 0
526 T 88 MOH HC HA 0.000251 1.0080 0
527 T 88 MOH O OH1 -0.839748 15.9990 0
528 T 88 MOH H H 0.481963 1.0080 0
529 T 89 MOH C CT3 0.459976 12.0110 0
530 T 89 MOH HA HA -0.051230 1.0080 0
531 T 89 MOH HB HA -0.051212 1.0080 0
532 T 89 MOH HC HA 0.000251 1.0080 0
533 T 89 MOH O OH1 -0.839748 15.9990 0
534 T 89 MOH H H 0.481963 1.0080 0
535 T 90 MOH C CT3 0.459976 12.0110 0
536 T 90 MOH HA HA -0.051230 1.0080 0
537 T 90 MOH HB HA -0.051212 1.0080 0
538 T 90 MOH HC HA 0.000251 1.0080 0
539 T 90 MOH O OH1 -0.839748 15.9990 0
540 T 90 MOH H H 0.481963 1.0080 0
541 T 91 MOH C CT3 0.459976 12.0110 0
542 T 91 MOH HA HA -0.051230 1.0080 0
543 T 91 MOH HB HA -0.051212 1.0080 0
544 T 91 MOH HC HA 0.000251 1.0080 0
545 T 91 MOH O OH1 -0.839748 15.9990 0
546 T 91 MOH H H 0.481963 1.0080 0
547 T 92 MOH C CT3 0.459976 12.0110 0
548 T 92 MOH HA HA -0.051230 1.0080 0
549 T 92 MOH HB HA -0.051212 1.0080 0
550 T 92 MOH HC HA 0.000251 1.0080 0
551 T 92 MOH O OH1 -0.839748 15.9990 0
552 T 92 MOH H H 0.481963 1.0080 0
553 T 93 MOH C CT3 0.459976 12.0110 0
554 T 93 MOH HA HA -0.051230 1.0080 0
555 T 93 MOH HB HA -0.051212 1.0080 0
556 T 93 MOH HC HA 0.000251 1.0080 0
557 T 93 MOH O OH1 -0.839748 15.9990 0
558 T 93 MOH H H 0.481963 1.0080 0
559 T 94 MOH C CT3 0.459976 12.0110 0
560 T 94 MOH HA HA -0.051230 1.0080 0
561 T 94 MOH HB HA -0.051212 1.0080 0
562 T 94 MOH HC HA 0.000251 1.0080 0
563 T 94 MOH O OH1 -0.839748 15.9990 0
564 T 94 MOH H H 0.481963 1.0080 0
565 T 95 MOH C CT3 0.459976 12.0110 0
566 T 95 MOH HA HA -0.051230 1.0080 0
567 T 95 MOH HB HA -0.051212 1.0080 0
568 T 95 MOH HC HA 0.000251 1.0080 0
569 T 95 MOH O OH1 -0.839748 15.9990 0
570 T 95 MOH H H 0.481963 1.0080 0
571 T 96 MOH C CT3 0.459976 12.0110 0
572 T 96 MOH HA HA -0.051230 1.0080 0
573 T 96 MOH HB HA -0.051212 1.0080 0
574 T 96 MOH HC HA 0.000251 1.0080 0
575 T 96 MOH O OH1 -0.839748 15.9990 0
576 T 96 MOH H H 0.481963 1.0080 0
577 T 97 MOH C CT3 0.459976 12.0110 0
578 T 97 MOH HA HA -0.051230 1.0080 0
579 T 97 MOH HB HA -0.051212 1.0080 0
580 T 97 MOH HC HA 0.000251 1.0080 0
581 T 97 MOH O OH1 -0.839748 15.9990 0
582 T 97 MOH H H 0.481963 1.0080 0
583 T 98 MOH C CT3 0.459976 12.0110 0
584 T 98 MOH HA HA -0.051230 1.0080 0
585 T 98 MOH HB HA -0.051212 1.0080 0
586 T 98 MOH HC HA 0.000251 1.0080 0
587 T 98 MOH O OH1 -0.839748 15.9990 0
588 T 98 MOH H H 0.481963 1.0080 0
589 T 99 MOH C CT3 0.459976 12.0110 0
590 T 99 MOH HA HA -0.051230 1.0080 0
591 T 99 MOH HB HA -0.051212 1.0080 0
592 T 99 MOH HC HA 0.000251 1.0080 0
593 T 99 MOH O OH1 -0.839748 15.9990 0
594 T 99 MOH H H 0.481963 1.0080 0
595 T 100 MOH C CT3 0.459976 12.0110 0
596 T 100 MOH HA HA -0.051230 1.0080 0
597 T 100 MOH HB HA -0.051212 1.0080 0
598 T 100 MOH HC HA 0.000251 1.0080 0
599 T 100 MOH O OH1 -0.839748 15.9990 0
600 T 100 MOH H H 0.481963 1.0080 0
601 T 101 MOH C CT3 0.459976 12.0110 0
602 T 101 MOH HA HA -0.051230 1.0080 0
603 T 101 MOH HB HA -0.051212 1.0080 0
604 T 101 MOH HC HA 0.000251 1.0080 0
605 T 101 MOH O OH1 -0.839748 15.9990 0
606 T 101 MOH H H 0.481963 1.0080 0
607 T 102 MOH C CT3 0.459976 12.0110 0
608 T 102 MOH HA HA -0.051230 1.0080 0
609 T 102 MOH HB HA -0.051212 1.0080 0
610 T 102 MOH HC HA 0.000251 1.0080 0
611 T 102 MOH O OH1 -0.839748 15.9990 0
612 T 102 MOH H H 0.481963 1.0080 0
613 T 103 MOH C CT3 0.459976 12.0110 0
614 T 103 MOH HA HA -0.051230 1.0080 0
615 T 103 MOH HB HA -0.051212 1.0080 0
616 T 103 MOH HC HA 0.000251 1.0080 0
617 T 103 MOH O OH1 -0.839748 15.9990 0
618 T 103 MOH H H 0.481963 1.0080 0
619 T 104 MOH C CT3 0.459976 12.0110 0
620 T 104 MOH HA HA -0.051230 1.0080 0
621 T 104 MOH HB HA -0.051212 1.0080 0
622 T 104 MOH HC HA 0.000251 1.0080 0
623 T 104 MOH O OH1 -0.839748 15.9990 0
624 T 104 MOH H H 0.481963 1.0080 0
625 T 105 MOH C CT3 0.459976 12.0110 0
626 T 105 MOH HA HA -0.051230 1.0080 0
627 T 105 MOH HB HA -0.051212 1.0080 0
628 T 105 MOH HC HA 0.000251 1.0080 0
629 T 105 MOH O OH1 -0.839748 15.9990 0
630 T 105 MOH H H 0.481963 1.0080 0
631 T 106 MOH C CT3 0.459976 12.0110 0
632 T 106 MOH HA HA -0.051230 1.0080 0
633 T 106 MOH HB HA -0.051212 1.0080 0
634 T 106 MOH HC HA 0.000251 1.0080 0
635 T 106 MOH O OH1 -0.839748 15.9990 0
636 T 106 MOH H H 0.481963 1.0080 0
637 T 107 MOH C CT3 0.459976 12.0110 0
638 T 107 MOH HA HA -0.051230 1.0080 0
639 T 107 MOH HB HA -0.051212 1.0080 0
640 T 107 MOH HC HA 0.000251 1.0080 0
641 T 107 MOH O OH1 -0.839748 15.9990 0
642 T 107 MOH H H 0.481963 1.0080 0
643 T 108 MOH C CT3 0.459976 12.0110 0
644 T 108 MOH HA HA -0.051230 1.0080 0
645 T 108 MOH HB HA -0.051212 1.0080 0
646 T 108 MOH HC HA 0.000251 1.0080 0
647 T 108 MOH O OH1 -0.839748 15.9990 0
648 T 108 MOH H H 0.481963 1.0080 0
649 T 109 MOH C CT3 0.459976 12.0110 0
650 T 109 MOH HA HA -0.051230 1.0080 0
651 T 109 MOH HB HA -0.051212 1.0080 0
652 T 109 MOH HC HA 0.000251 1.0080 0
653 T 109 MOH O OH1 -0.839748 15.9990 0
654 T 109 MOH H H 0.481963 1.0080 0
655 T 110 MOH C CT3 0.459976 12.0110 0
656 T 110 MOH HA HA -0.051230 1.0080 0
657 T 110 MOH HB HA -0.051212 1.0080 0
658 T 110 MOH HC HA 0.000251 1.0080 0
659 T 110 MOH O OH1 -0.839748 15.9990 0
660 T 110 MOH H H 0.481963 1.0080 0
661 T 111 MOH C CT3 0.459976 12.0110 0
662 T 111 MOH HA HA -0.051230 1.0080 0
663 T 111 MOH HB HA -0.051212 1.0080 0
664 T 111 MOH HC HA 0.000251 1.0080 0
665 T 111 MOH O OH1 -0.839748 15.9990 0
666 T 111 MOH H H 0.481963 1.0080 0
667 T 112 MOH C CT3 0.459976 12.0110 0
668 T 112 MOH HA HA -0.051230 1.0080 0
669 T 112 MOH HB HA -0.051212 1.0080 0
670 T 112 MOH HC HA 0.000251 1.0080 0
671 T 112 MOH O OH1 -0.839748 15.9990 0
672 T 112 MOH H H 0.481963 1.0080 0
673 T 113 MOH C CT3 0.459976 12.0110 0
674 T 113 MOH HA HA -0.051230 1.0080 0
675 T 113 MOH HB HA -0.051212 1.0080 0
676 T 113 MOH HC HA 0.000251 1.0080 0
677 T 113 MOH O OH1 -0.839748 15.9990 0
678 T 113 MOH H H 0.481963 1.0080 0
679 T 114 MOH C CT3 0.459976 12.0110 0
680 T 114 MOH HA HA -0.051230 1.0080 0
681 T 114 MOH HB HA -0.051212 1.0080 0
682 T 114 MOH HC HA 0.000251 1.0080 0
683 T 114 MOH O OH1 -0.839748 15.9990 0
684 T 114 MOH H H 0.481963 1.0080 0
685 T 115 MOH C CT3 0.459976 12.0110 0
686 T 115 MOH HA HA -0.051230 1.0080 0
687 T 115 MOH HB HA -0.051212 1.0080 0
688 T 115 MOH HC HA 0.000251 1.0080 0
689 T 115 MOH O OH1 -0.839748 15.9990 0
690 T 115 MOH H H 0.481963 1.0080 0
691 T 116 MOH C CT3 0.459976 12.0110 0
692 T 116 MOH HA HA -0.051230 1.0080 0
693 T 116 MOH HB HA -0.051212 1.0080 0
694 T 116 MOH HC HA 0.000251 1.0080 0
695 T 116 MOH O OH1 -0.839748 15.9990 0
696 T 116 MOH H H 0.481963 1.0080 0
697 T 117 MOH C CT3 0.459976 12.0110 0
698 T 117 MOH HA HA -0.051230 1.0080 0
699 T 117 MOH HB HA -0.051212 1.0080 0
700 T 117 MOH HC HA 0.000251 1.0080 0
701 T 117 MOH O OH1 -0.839748 15.9990 0
702 T 117 MOH H H 0.481963 1.0080 0
703 T 118 MOH C CT3 0.459976 12.0110 0
704 T 118 MOH HA HA -0.051230 1.0080 0
705 T 118 MOH HB HA -0.051212 1.0080 0
706 T 118 MOH HC HA 0.000251 1.0080 0
707 T 118 MOH O OH1 -0.839748 15.9990 0
708 T 118 MOH H H 0.481963 1.0080 0
709 T 119 MOH C CT3 0.459976 12.0110 0
710 T 119 MOH HA HA -0.051230 1.0080 0
711 T 119 MOH HB HA -0.051212 1.0080 0
712 T 119 MOH HC HA 0.000251 1.0080 0
713 T 119 MOH O OH1 -0.839748 15.9990 0
714 T 119 MOH H H 0.481963 1.0080 0
715 T 120 MOH C CT3 0.459976 12.0110 0
716 T 120 MOH HA HA -0.051230 1.0080 0
717 T 120 MOH HB HA -0.051212 1.0080 0
718 T 120 MOH HC HA 0.000251 1.0080 0
719 T 120 MOH O OH1 -0.839748 15.9990 0
720 T 120 MOH H H 0.481963 1.0080 0
721 T 121 MOH C CT3 0.459976 12.0110 0
722 T 121 MOH HA HA -0.051230 1.0080 0
723 T 121 MOH HB HA -0.051212 1.0080 0
724 T 121 MOH HC HA 0.000251 1.0080 0
725 T 121 MOH O OH1 -0.839748 15.9990 0
726 T 121 MOH H H 0.481963 1.0080 0
727 T 122 MOH C CT3 0.459976 12.0110 0
728 T 122 MOH HA HA -0.051230 1.0080 0
729 T 122 MOH HB HA -0.051212 1.0080 0
730 T 122 MOH HC HA 0.000251 1.0080 0
731 T 122 MOH O OH1 -0.839748 15.9990 0
732 T 122 MOH H H 0.481963 1.0080 0
733 T 123 MOH C CT3 0.459976 12.0110 0
734 T 123 MOH HA HA -0.051230 1.0080 0
735 T 123 MOH HB HA -0.051212 1.0080 0
736 T 123 MOH HC HA 0.000251 1.0080 0
737 T 123 MOH O OH1 -0.839748 15.9990 0
738 T 123 MOH H H 0.481963 1.0080 0
739 T 124 MOH C CT3 0.459976 12.0110 0
740 T 124 MOH HA HA -0.051230 1.0080 0
741 T 124 MOH HB HA -0.051212 1.0080 0
742 T 124 MOH HC HA 0.000251 1.0080 0
743 T 124 MOH O OH1 -0.839748 15.9990 0
744 T 124 MOH H H 0.481963 1.0080 0
745 T 125 MOH C CT3 0.459976 12.0110 0
746 T 125 MOH HA HA -0.051230 1.0080 0
747 T 125 MOH HB HA -0.051212 1.0080 0
748 T 125 MOH HC HA 0.000251 1.0080 0
749 T 125 MOH O OH1 -0.839748 15.9990 0
750 T 125 MOH H H 0.481963 1.0080 0
751 T 126 MOH C CT3 0.459976 12.0110 0
752 T 126 MOH HA HA -0.051230 1.0080 0
753 T 126 MOH HB HA -0.051212 1.0080 0
754 T 126 MOH HC HA 0.000251 1.0080 0
755 T 126 MOH O OH1 -0.839748 15.9990 0
756 T 126 MOH H H 0.481963 1.0080 0
757 T 127 MOH C CT3 0.459976 12.0110 0
758 T 127 MOH HA HA -0.051230 1.0080 0
759 T 127 MOH HB HA -0.051212 1.0080 0
760 T 127 MOH HC HA 0.000251 1.0080 0
761 T 127 MOH O OH1 -0.839748 15.9990 0
762 T 127 MOH H H 0.481963 1.0080 0
763 T 128 MOH C CT3 0.459976 12.0110 0
764 T 128 MOH HA HA -0.051230 1.0080 0
765 T 128 MOH HB HA -0.051212 1.0080 0
766 T 128 MOH HC HA 0.000251 1.0080 0
767 T 128 MOH O OH1 -0.839748 15.9990 0
768 T 128 MOH H H 0.481963 1.0080 0
769 T 129 MOH C CT3 0.459976 12.0110 0
770 T 129 MOH HA HA -0.051230 1.0080 0
771 T 129 MOH HB HA -0.051212 1.0080 0
772 T 129 MOH HC HA 0.000251 1.0080 0
773 T 129 MOH O OH1 -0.839748 15.9990 0
774 T 129 MOH H H 0.481963 1.0080 0
775 T 130 MOH C CT3 0.459976 12.0110 0
776 T 130 MOH HA HA -0.051230 1.0080 0
777 T 130 MOH HB HA -0.051212 1.0080 0
778 T 130 MOH HC HA 0.000251 1.0080 0
779 T 130 MOH O OH1 -0.839748 15.9990 0
780 T 130 MOH H H 0.481963 1.0080 0
781 T 131 MOH C CT3 0.459976 12.0110 0
782 T 131 MOH HA HA -0.051230 1.0080 0
783 T 131 MOH HB HA -0.051212 1.0080 0
784 T 131 MOH HC HA 0.000251 1.0080 0
785 T 131 MOH O OH1 -0.839748 15.9990 0
786 T 131 MOH H H 0.481963 1.0080 0
787 T 132 MOH C CT3 0.459976 12.0110 0
788 T 132 MOH HA HA -0.051230 1.0080 0
789 T 132 MOH HB HA -0.051212 1.0080 0
790 T 132 MOH HC HA 0.000251 1.0080 0
791 T 132 MOH O OH1 -0.839748 15.9990 0
792 T 132 MOH H H 0.481963 1.0080 0
793 T 133 MOH C CT3 0.459976 12.0110 0
794 T 133 MOH HA HA -0.051230 1.0080 0
795 T 133 MOH HB HA -0.051212 1.0080 0
796 T 133 MOH HC HA 0.000251 1.0080 0
797 T 133 MOH O OH1 -0.839748 15.9990 0
798 T 133 MOH H H 0.481963 1.0080 0
799 T 134 MOH C CT3 0.459976 12.0110 0
800 T 134 MOH HA HA -0.051230 1.0080 0
801 T 134 MOH HB HA -0.051212 1.0080 0
802 T 134 MOH HC HA 0.000251 1.0080 0
803 T 134 MOH O OH1 -0.839748 15.9990 0
804 T 134 MOH H H 0.481963 1.0080 0
805 T 135 MOH C CT3 0.459976 12.0110 0
806 T 135 MOH HA HA -0.051230 1.0080 0
807 T 135 MOH HB HA -0.051212 1.0080 0
808 T 135 MOH HC HA 0.000251 1.0080 0
809 T 135 MOH O OH1 -0.839748 15.9990 0
810 T 135 MOH H H 0.481963 1.0080 0
811 T 136 MOH C CT3 0.459976 12.0110 0
812 T 136 MOH HA HA -0.051230 1.0080 0
813 T 136 MOH HB HA -0.051212 1.0080 0
814 T 136 MOH HC HA 0.000251 1.0080 0
815 T 136 MOH O OH1 -0.839748 15.9990 0
816 T 136 MOH H H 0.481963 1.0080 0
817 T 137 MOH C CT3 0.459976 12.0110 0
818 T 137 MOH HA HA -0.051230 1.0080 0
819 T 137 MOH HB HA -0.051212 1.0080 0
820 T 137 MOH HC HA 0.000251 1.0080 0
821 T 137 MOH O OH1 -0.839748 15.9990 0
822 T 137 MOH H H 0.481963 1.0080 0
823 T 138 MOH C CT3 0.459976 12.0110 0
824 T 138 MOH HA HA -0.051230 1.0080 0
825 T 138 MOH HB HA -0.051212 1.0080 0
826 T 138 MOH HC HA 0.000251 1.0080 0
827 T 138 MOH O OH1 -0.839748 15.9990 0
828 T 138 MOH H H 0.481963 1.0080 0
829 T 139 MOH C CT3 0.459976 12.0110 0
830 T 139 MOH HA HA -0.051230 1.0080 0
831 T 139 MOH HB HA -0.051212 1.0080 0
832 T 139 MOH HC HA 0.000251 1.0080 0
833 T 139 MOH O OH1 -0.839748 15.9990 0
834 T 139 MOH H H 0.481963 1.0080 0
835 T 140 MOH C CT3 0.459976 12.0110 0
836 T 140 MOH HA HA -0.051230 1.0080 0
837 T 140 MOH HB HA -0.051212 1.0080 0
838 T 140 MOH HC HA 0.000251 1.0080 0
839 T 140 MOH O OH1 -0.839748 15.9990 0
840 T 140 MOH H H 0.481963 1.0080 0
841 T 141 MOH C CT3 0.459976 12.0110 0
842 T 141 MOH HA HA -0.051230 1.0080 0
843 T 141 MOH HB HA -0.051212 1.0080 0
844 T 141 MOH HC HA 0.000251 1.0080 0
845 T 141 MOH O OH1 -0.839748 15.9990 0
846 T 141 MOH H H 0.481963 1.0080 0
847 T 142 MOH C CT3 0.459976 12.0110 0
848 T 142 MOH HA HA -0.051230 1.0080 0
849 T 142 MOH HB HA -0.051212 1.0080 0
850 T 142 MOH HC HA 0.000251 1.0080 0
851 T 142 MOH O OH1 -0.839748 15.9990 0
852 T 142 MOH H H 0.481963 1.0080 0
853 T 143 MOH C CT3 0.459976 12.0110 0
854 T 143 MOH HA HA -0.051230 1.0080 0
855 T 143 MOH HB HA -0.051212 1.0080 0
856 T 143 MOH HC HA 0.000251 1.0080 0
857 T 143 MOH O OH1 -0.839748 15.9990 0
858 T 143 MOH H H 0.481963 1.0080 0
859 T 144 MOH C CT3 0.459976 12.0110 0
860 T 144 MOH HA HA -0.051230 1.0080 0
861 T 144 MOH HB HA -0.051212 1.0080 0
862 T 144 MOH HC HA 0.000251 1.0080 0
863 T 144 MOH O OH1 -0.839748 15.9990 0
864 T 144 MOH H H 0.481963 1.0080 0
865 T 145 MOH C CT3 0.459976 12.0110 0
866 T 145 MOH HA HA -0.051230 1.0080 0
867 T 145 MOH HB HA -0.051212 1.0080 0
868 T 145 MOH HC HA 0.000251 1.0080 0
869 T 145 MOH O OH1 -0.839748 15.9990 0
870 T 145 MOH H H 0.481963 1.0080 0
871 T 146 MOH C CT3 0.459976 12.0110 0
872 T 146 MOH HA HA -0.051230 1.0080 0
873 T 146 MOH HB HA -0.051212 1.0080 0
874 T 146 MOH HC HA 0.000251 1.0080 0
875 T 146 MOH O OH1 -0.839748 15.9990 0
876 T 146 MOH H H 0.481963 1.0080 0
877 T 147 MOH C CT3 0.459976 12.0110 0
878 T 147 MOH HA HA -0.051230 1.0080 0
879 T 147 MOH HB HA -0.051212 1.0080 0
880 T 147 MOH HC HA 0.000251 1.0080 0
881 T 147 MOH O OH1 -0.839748 15.9990 0
882 T 147 MOH H H 0.481963 1.0080 0
883 T 148 MOH C CT3 0.459976 12.0110 0
884 T 148 MOH HA HA -0.051230 1.0080 0
885 T 148 MOH HB HA -0.051212 1.0080 0
886 T 148 MOH HC HA 0.000251 1.0080 0
887 T 148 MOH O OH1 -0.839748 15.9990 0
888 T 148 MOH H H 0.481963 1.0080 0
889 T 149 MOH C CT3 0.459976 12.0110 0
890 T 149 MOH HA HA -0.051230 1.0080 0
891 T 149 MOH HB HA -0.051212 1.0080 0
892 T 149 MOH HC HA 0.000251 1.0080 0
893 T 149 MOH O OH1 -0.839748 15.9990 0
894 T 149 MOH H H 0.481963 1.0080 0
895 T 150 MOH C CT3 0.459976 12.0110 0
896 T 150 MOH HA HA -0.051230 1.0080 0
897 T 150 MOH HB HA -0.051212 1.0080 0
898 T 150 MOH HC HA 0.000251 1.0080 0
899 T 150 MOH O OH1 -0.839748 15.9990 0
900 T 150 MOH H H 0.481963 1.0080 0
901 T 151 MOH C CT3 0.459976 12.0110 0
902 T 151 MOH HA HA -0.051230 1.0080 0
903 T 151 MOH HB HA -0.051212 1.0080 0
904 T 151 MOH HC HA 0.000251 1.0080 0
905 T 151 MOH O OH1 -0.839748 15.9990 0
906 T 151 MOH H H 0.481963 1.0080 0
907 T 152 MOH C CT3 0.459976 12.0110 0
908 T 152 MOH HA HA -0.051230 1.0080 0
909 T 152 MOH HB HA -0.051212 1.0080 0
910 T 152 MOH HC HA 0.000251 1.0080 0
911 T 152 MOH O OH1 -0.839748 15.9990 0
912 T 152 MOH H H 0.481963 1.0080 0
913 T 153 MOH C CT3 0.459976 12.0110 0
914 T 153 MOH HA HA -0.051230 1.0080 0
915 T 153 MOH HB HA -0.051212 1.0080 0
916 T 153 MOH HC HA 0.000251 1.0080 0
917 T 153 MOH O OH1 -0.839748 15.9990 0
918 T 153 MOH H H 0.481963 1.0080 0
919 T 154 MOH C CT3 0.459976 12.0110 0
920 T 154 MOH HA HA -0.051230 1.0080 0
921 T 154 MOH HB HA -0.051212 1.0080 0
922 T 154 MOH HC HA 0.000251 1.0080 0
923 T 154 MOH O OH1 -0.839748 15.9990 0
924 T 154 MOH H H 0.481963 1.0080 0
925 T 155 MOH C CT3 0.459976 12.0110 0
926 T 155 MOH HA HA -0.051230 1.0080 0
927 T 155 MOH HB HA -0.051212 1.0080 0
928 T 155 MOH HC HA 0.000251 1.0080 0
929 T 155 MOH O OH1 -0.839748 15.9990 0
930 T 155 MOH H H 0.481963 1.0080 0
931 T 156 MOH C CT3 0.459976 12.0110 0
932 T 156 MOH HA HA -0.051230 1.0080 0
933 T 156 MOH HB HA -0.051212 1.0080 0
934 T 156 MOH HC HA 0.000251 1.0080 0
935 T 156 MOH O OH1 -0.839748 15.9990 0
936 T 156 MOH H H 0.481963 1.0080 0
937 T 157 MOH C CT3 0.459976 12.0110 0
938 T 157 MOH HA HA -0.051230 1.0080 0
939 T 157 MOH HB HA -0.051212 1.0080 0
940 T 157 MOH HC HA 0.000251 1.0080 0
941 T 157 MOH O OH1 -0.839748 15.9990 0
942 T 157 MOH H H 0.481963 1.0080 0
943 T 158 MOH C CT3 0.459976 12.0110 0
944 T 158 MOH HA HA -0.051230 1.0080 0
945 T 158 MOH HB HA -0.051212 1.0080 0
946 T 158 MOH HC HA 0.000251 1.0080 0
947 T 158 MOH O OH1 -0.839748 15.9990 0
948 T 158 MOH H H 0.481963 1.0080 0
949 T 159 MOH C CT3 0.459976 12.0110 0
950 T 159 MOH HA HA -0.051230 1.0080 0
951 T 159 MOH HB HA -0.051212 1.0080 0
952 T 159 MOH HC HA 0.000251 1.0080 0
953 T 159 MOH O OH1 -0.839748 15.9990 0
954 T 159 MOH H H 0.481963 1.0080 0
955 T 160 MOH C CT3 0.459976 12.0110 0
956 T 160 MOH HA HA -0.051230 1.0080 0
957 T 160 MOH HB HA -0.051212 1.0080 0
958 T 160 MOH HC HA 0.000251 1.0080 0
959 T 160 MOH O OH1 -0.839748 15.9990 0
960 T 160 MOH H H 0.481963 1.0080 0
961 T 161 MOH C CT3 0.459976 12.0110 0
962 T 161 MOH HA HA -0.051230 1.0080 0
963 T 161 MOH HB HA -0.051212 1.0080 0
964 T 161 MOH HC HA 0.000251 1.0080 0
965 T 161 MOH O OH1 -0.839748 15.9990 0
966 T 161 MOH H H 0.481963 1.0080 0
967 T 162 MOH C CT3 0.459976 12.0110 0
968 T 162 MOH HA HA -0.051230 1.0080 0
969 T 162 MOH HB HA -0.051212 1.0080 0
970 T 162 MOH HC HA 0.000251 1.0080 0
971 T 162 MOH O OH1 -0.839748 15.9990 0
972 T 162 MOH H H 0.481963 1.0080 0
973 T 163 MOH C CT3 0.459976 12.0110 0
974 T 163 MOH HA HA -0.051230 1.0080 0
975 T 163 MOH HB HA -0.051212 1.0080 0
976 T 163 MOH HC HA 0.000251 1.0080 0
977 T 163 MOH O OH1 -0.839748 15.9990 0
978 T 163 MOH H H 0.481963 1.0080 0
979 T 164 MOH C CT3 0.459976 12.0110 0
980 T 164 MOH HA HA -0.051230 1.0080 0
981 T 164 MOH HB HA -0.051212 1.0080 0
982 T 164 MOH HC HA 0.000251 1.0080 0
983 T 164 MOH O OH1 -0.839748 15.9990 0
984 T 164 MOH H H 0.481963 1.0080 0
985 T 165 MOH C CT3 0.459976 12.0110 0
986 T 165 MOH HA HA -0.051230 1.0080 0
987 T 165 MOH HB HA -0.051212 1.0080 0
988 T 165 MOH HC HA 0.000251 1.0080 0
989 T 165 MOH O OH1 -0.839748 15.9990 0
990 T 165 MOH H H 0.481963 1.0080 0
991 T 166 MOH C CT3 0.459976 12.0110 0
992 T 166 MOH HA HA -0.051230 1.0080 0
993 T 166 MOH HB HA -0.051212 1.0080 0
994 T 166 MOH HC HA 0.000251 1.0080 0
995 T 166 MOH O OH1 -0.839748 15.9990 0
996 T 166 MOH H H 0.481963 1.0080 0
997 T 167 MOH C CT3 0.459976 12.0110 0
998 T 167 MOH HA HA -0.051230 1.0080 0
999 T 167 MOH HB HA -0.051212 1.0080 0
1000 T 167 MOH HC HA 0.000251 1.0080 0
1001 T 167 MOH O OH1 -0.839748 15.9990 0
1002 T 167 MOH H H 0.481963 1.0080 0
1003 T 168 MOH C CT3 0.459976 12.0110 0
1004 T 168 MOH HA HA -0.051230 1.0080 0
1005 T 168 MOH HB HA -0.051212 1.0080 0
1006 T 168 MOH HC HA 0.000251 1.0080 0
1007 T 168 MOH O OH1 -0.839748 15.9990 0
1008 T 168 MOH H H 0.481963 1.0080 0
1009 T 169 MOH C CT3 0.459976 12.0110 0
1010 T 169 MOH HA HA -0.051230 1.0080 0
1011 T 169 MOH HB HA -0.051212 1.0080 0
1012 T 169 MOH HC HA 0.000251 1.0080 0
1013 T 169 MOH O OH1 -0.839748 15.9990 0
1014 T 169 MOH H H 0.481963 1.0080 0
1015 T 170 MOH C CT3 0.459976 12.0110 0
1016 T 170 MOH HA HA -0.051230 1.0080 0
1017 T 170 MOH HB HA -0.051212 1.0080 0
1018 T 170 MOH HC HA 0.000251 1.0080 0
1019 T 170 MOH O OH1 -0.839748 15.9990 0
1020 T 170 MOH H H 0.481963 1.0080 0
1021 T 171 MOH C CT3 0.459976 12.0110 0
1022 T 171 MOH HA HA -0.051230 1.0080 0
1023 T 171 MOH HB HA -0.051212 1.0080 0
1024 T 171 MOH HC HA 0.000251 1.0080 0
1025 T 171 MOH O OH1 -0.839748 15.9990 0
1026 T 171 MOH H H 0.481963 1.0080 0
1027 T 172 MOH C CT3 0.459976 12.0110 0
1028 T 172 MOH HA HA -0.051230 1.0080 0
1029 T 172 MOH HB HA -0.051212 1.0080 0
1030 T 172 MOH HC HA 0.000251 1.0080 0
1031 T 172 MOH O OH1 -0.839748 15.9990 0
1032 T 172 MOH H H 0.481963 1.0080 0
1033 T 173 MOH C CT3 0.459976 12.0110 0
1034 T 173 MOH HA HA -0.051230 1.0080 0
1035 T 173 MOH HB HA -0.051212 1.0080 0
1036 T 173 MOH HC HA 0.000251 1.0080 0
1037 T 173 MOH O OH1 -0.839748 15.9990 0
1038 T 173 MOH H H 0.481963 1.0080 0
1039 T 174 MOH C CT3 0.459976 12.0110 0
1040 T 174 MOH HA HA -0.051230 1.0080 0
1041 T 174 MOH HB HA -0.051212 1.0080 0
1042 T 174 MOH HC HA 0.000251 1.0080 0
1043 T 174 MOH O OH1 -0.839748 15.9990 0
1044 T 174 MOH H H 0.481963 1.0080 0
1045 T 175 MOH C CT3 0.459976 12.0110 0
1046 T 175 MOH HA HA -0.051230 1.0080 0
1047 T 175 MOH HB HA -0.051212 1.0080 0
1048 T 175 MOH HC HA 0.000251 1.0080 0
1049 T 175 MOH O OH1 -0.839748 15.9990 0
1050 T 175 MOH H H 0.481963 1.0080 0
1051 T 176 MOH C CT3 0.459976 12.0110 0
1052 T 176 MOH HA HA -0.051230 1.0080 0
1053 T 176 MOH HB HA -0.051212 1.0080 0
1054 T 176 MOH HC HA 0.000251 1.0080 0
1055 T 176 MOH O OH1 -0.839748 15.9990 0
1056 T 176 MOH H H 0.481963 1.0080 0
1057 T 177 MOH C CT3 0.459976 12.0110 0
1058 T 177 MOH HA HA -0.051230 1.0080 0
1059 T 177 MOH HB HA -0.051212 1.0080 0
1060 T 177 MOH HC HA 0.000251 1.0080 0
1061 T 177 MOH O OH1 -0.839748 15.9990 0
1062 T 177 MOH H H 0.481963 1.0080 0
1063 T 178 MOH C CT3 0.459976 12.0110 0
1064 T 178 MOH HA HA -0.051230 1.0080 0
1065 T 178 MOH HB HA -0.051212 1.0080 0
1066 T 178 MOH HC HA 0.000251 1.0080 0
1067 T 178 MOH O OH1 -0.839748 15.9990 0
1068 T 178 MOH H H 0.481963 1.0080 0
1069 T 179 MOH C CT3 0.459976 12.0110 0
1070 T 179 MOH HA HA -0.051230 1.0080 0
1071 T 179 MOH HB HA -0.051212 1.0080 0
1072 T 179 MOH HC HA 0.000251 1.0080 0
1073 T 179 MOH O OH1 -0.839748 15.9990 0
1074 T 179 MOH H H 0.481963 1.0080 0
1075 T 180 MOH C CT3 0.459976 12.0110 0
1076 T 180 MOH HA HA -0.051230 1.0080 0
1077 T 180 MOH HB HA -0.051212 1.0080 0
1078 T 180 MOH HC HA 0.000251 1.0080 0
1079 T 180 MOH O OH1 -0.839748 15.9990 0
1080 T 180 MOH H H 0.481963 1.0080 0
1081 T 181 MOH C CT3 0.459976 12.0110 0
1082 T 181 MOH HA HA -0.051230 1.0080 0
1083 T 181 MOH HB HA -0.051212 1.0080 0
1084 T 181 MOH HC HA 0.000251 1.0080 0
1085 T 181 MOH O OH1 -0.839748 15.9990 0
1086 T 181 MOH H H 0.481963 1.0080 0
1087 T 182 MOH C CT3 0.459976 12.0110 0
1088 T 182 MOH HA HA -0.051230 1.0080 0
1089 T 182 MOH HB HA -0.051212 1.0080 0
1090 T 182 MOH HC HA 0.000251 1.0080 0
1091 T 182 MOH O OH1 -0.839748 15.9990 0
1092 T 182 MOH H H 0.481963 1.0080 0
1093 T 183 MOH C CT3 0.459976 12.0110 0
1094 T 183 MOH HA HA -0.051230 1.0080 0
1095 T 183 MOH HB HA -0.051212 1.0080 0
1096 T 183 MOH HC HA 0.000251 1.0080 0
1097 T 183 MOH O OH1 -0.839748 15.9990 0
1098 T 183 MOH H H 0.481963 1.0080 0
1099 T 184 MOH C CT3 0.459976 12.0110 0
1100 T 184 MOH HA HA -0.051230 1.0080 0
1101 T 184 MOH HB HA -0.051212 1.0080 0
1102 T 184 MOH HC HA 0.000251 1.0080 0
1103 T 184 MOH O OH1 -0.839748 15.9990 0
1104 T 184 MOH H H 0.481963 1.0080 0
1105 T 185 MOH C CT3 0.459976 12.0110 0
1106 T 185 MOH HA HA -0.051230 1.0080 0
1107 T 185 MOH HB HA -0.051212 1.0080 0
1108 T 185 MOH HC HA 0.000251 1.0080 0
1109 T 185 MOH O OH1 -0.839748 15.9990 0
1110 T 185 MOH H H 0.481963 1.0080 0
1111 T 186 MOH C CT3 0.459976 12.0110 0
1112 T 186 MOH HA HA -0.051230 1.0080 0
1113 T 186 MOH HB HA -0.051212 1.0080 0
1114 T 186 MOH HC HA 0.000251 1.0080 0
1115 T 186 MOH O OH1 -0.839748 15.9990 0
1116 T 186 MOH H H 0.481963 1.0080 0
1117 T 187 MOH C CT3 0.459976 12.0110 0
1118 T 187 MOH HA HA -0.051230 1.0080 0
1119 T 187 MOH HB HA -0.051212 1.0080 0
1120 T 187 MOH HC HA 0.000251 1.0080 0
1121 T 187 MOH O OH1 -0.839748 15.9990 0
1122 T 187 MOH H H 0.481963 1.0080 0
1123 T 188 MOH C CT3 0.459976 12.0110 0
1124 T 188 MOH HA HA -0.051230 1.0080 0
1125 T 188 MOH HB HA -0.051212 1.0080 0
1126 T 188 MOH HC HA 0.000251 1.0080 0
1127 T 188 MOH O OH1 -0.839748 15.9990 0
1128 T 188 MOH H H 0.481963 1.0080 0
1129 T 189 MOH C CT3 0.459976 12.0110 0
1130 T 189 MOH HA HA -0.051230 1.0080 0
1131 T 189 MOH HB HA -0.051212 1.0080 0
1132 T 189 MOH HC HA 0.000251 1.0080 0
1133 T 189 MOH O OH1 -0.839748 15.9990 0
1134 T 189 MOH H H 0.481963 1.0080 0
1135 T 190 MOH C CT3 0.459976 12.0110 0
1136 T 190 MOH HA HA -0.051230 1.0080 0
1137 T 190 MOH HB HA -0.051212 1.0080 0
1138 T 190 MOH HC HA 0.000251 1.0080 0
1139 T 190 MOH O OH1 -0.839748 15.9990 0
1140 T 190 MOH H H 0.481963 1.0080 0
1141 T 191 MOH C CT3 0.459976 12.0110 0
1142 T 191 MOH HA HA -0.051230 1.0080 0
1143 T 191 MOH HB HA -0.051212 1.0080 0
1144 T 191 MOH HC HA 0.000251 1.0080 0
1145 T 191 MOH O OH1 -0.839748 15.9990 0
1146 T 191 MOH H H 0.481963 1.0080 0
1147 T 192 MOH C CT3 0.459976 12.0110 0
1148 T 192 MOH HA HA -0.051230 1.0080 0
1149 T 192 MOH HB HA -0.051212 1.0080 0
1150 T 192 MOH HC HA 0.000251 1.0080 0
1151 T 192 MOH O OH1 -0.839748 15.9990 0
1152 T 192 MOH H H 0.481963 1.0080 0
1153 T 193 MOH C CT3 0.459976 12.0110 0
1154 T 193 MOH HA HA -0.051230 1.0080 0
1155 T 193 MOH HB HA -0.051212 1.0080 0
1156 T 193 MOH HC HA 0.000251 1.0080 0
1157 T 193 MOH O OH1 -0.839748 15.9990 0
1158 T 193 MOH H H 0.481963 1.0080 0
1159 T 194 MOH C CT3 0.459976 12.0110 0
1160 T 194 MOH HA HA -0.051230 1.0080 0
1161 T 194 MOH HB HA -0.051212 1.0080 0
1162 T 194 MOH HC HA 0.000251 1.0080 0
1163 T 194 MOH O OH1 -0.839748 15.9990 0
1164 T 194 MOH H H 0.481963 1.0080 0
1165 T 195 MOH C CT3 0.459976 12.0110 0
1166 T 195 MOH HA HA -0.051230 1.0080 0
1167 T 195 MOH HB HA -0.051212 1.0080 0
1168 T 195 MOH HC HA 0.000251 1.0080 0
1169 T 195 MOH O OH1 -0.839748 15.9990 0
1170 T 195 MOH H H 0.481963 1.0080 0
1171 T 196 MOH C CT3 0.459976 12.0110 0
1172 T 196 MOH HA HA -0.051230 1.0080 0
1173 T 196 MOH HB HA -0.051212 1.0080 0
1174 T 196 MOH HC HA 0.000251 1.0080 0
1175 T 196 MOH O OH1 -0.839748 15.9990 0
1176 T 196 MOH H H 0.481963 1.0080 0
1177 T 197 MOH C CT3 0.459976 12.0110 0
1178 T 197 MOH HA HA -0.051230 1.0080 0
1179 T 197 MOH HB HA -0.051212 1.0080 0
1180 T 197 MOH HC HA 0.000251 1.0080 0
1181 T 197 MOH O OH1 -0.839748 15.9990 0
1182 T 197 MOH H H 0.481963 1.0080 0
1183 T 198 MOH C CT3 0.459976 12.0110 0
1184 T 198 MOH HA HA -0.051230 1.0080 0
1185 T 198 MOH HB HA -0.051212 1.0080 0
1186 T 198 MOH HC HA 0.000251 1.0080 0
1187 T 198 MOH O OH1 -0.839748 15.9990 0
1188 T 198 MOH H H 0.481963 1.0080 0
1189 T 199 MOH C CT3 0.459976 12.0110 0
1190 T 199 MOH HA HA -0.051230 1.0080 0
1191 T 199 MOH HB HA -0.051212 1.0080 0
1192 T 199 MOH HC HA 0.000251 1.0080 0
1193 T 199 MOH O OH1 -0.839748 15.9990 0
1194 T 199 MOH H H 0.481963 1.0080 0
1195 T 200 MOH C CT3 0.459976 12.0110 0
1196 T 200 MOH HA HA -0.051230 1.0080 0
1197 T 200 MOH HB HA -0.051212 1.0080 0
1198 T 200 MOH HC HA 0.000251 1.0080 0
1199 T 200 MOH O OH1 -0.839748 15.9990 0
1200 T 200 MOH H H 0.481963 1.0080 0
1201 T 201 MOH C CT3 0.459976 12.0110 0
1202 T 201 MOH HA HA -0.051230 1.0080 0
1203 T 201 MOH HB HA -0.051212 1.0080 0
1204 T 201 MOH HC HA 0.000251 1.0080 0
1205 T 201 MOH O OH1 -0.839748 15.9990 0
1206 T 201 MOH H H 0.481963 1.0080 0
1207 T 202 MOH C CT3 0.459976 12.0110 0
1208 T 202 MOH HA HA -0.051230 1.0080 0
1209 T 202 MOH HB HA -0.051212 1.0080 0
1210 T 202 MOH HC HA 0.000251 1.0080 0
1211 T 202 MOH O OH1 -0.839748 15.9990 0
1212 T 202 MOH H H 0.481963 1.0080 0
1213 T 203 MOH C CT3 0.459976 12.0110 0
1214 T 203 MOH HA HA -0.051230 1.0080 0
1215 T 203 MOH HB HA -0.051212 1.0080 0
1216 T 203 MOH HC HA 0.000251 1.0080 0
1217 T 203 MOH O OH1 -0.839748 15.9990 0
1218 T 203 MOH H H 0.481963 1.0080 0
1219 T 204 MOH C CT3 0.459976 12.0110 0
1220 T 204 MOH HA HA -0.051230 1.0080 0
1221 T 204 MOH HB HA -0.051212 1.0080 0
1222 T 204 MOH HC HA 0.000251 1.0080 0
1223 T 204 MOH O OH1 -0.839748 15.9990 0
1224 T 204 MOH H H 0.481963 1.0080 0
1225 T 205 MOH C CT3 0.459976 12.0110 0
1226 T 205 MOH HA HA -0.051230 1.0080 0
1227 T 205 MOH HB HA -0.051212 1.0080 0
1228 T 205 MOH HC HA 0.000251 1.0080 0
1229 T 205 MOH O OH1 -0.839748 15.9990 0
1230 T 205 MOH H H 0.481963 1.0080 0
1231 T 206 MOH C CT3 0.459976 12.0110 0
1232 T 206 MOH HA HA -0.051230 1.0080 0
1233 T 206 MOH HB HA -0.051212 1.0080 0
1234 T 206 MOH HC HA 0.000251 1.0080 0
1235 T 206 MOH O OH1 -0.839748 15.9990 0
1236 T 206 MOH H H 0.481963 1.0080 0
1237 T 207 MOH C CT3 0.459976 12.0110 0
1238 T 207 MOH HA HA -0.051230 1.0080 0
1239 T 207 MOH HB HA -0.051212 1.0080 0
1240 T 207 MOH HC HA 0.000251 1.0080 0
1241 T 207 MOH O OH1 -0.839748 15.9990 0
1242 T 207 MOH H H 0.481963 1.0080 0
1243 T 208 MOH C CT3 0.459976 12.0110 0
1244 T 208 MOH HA HA -0.051230 1.0080 0
1245 T 208 MOH HB HA -0.051212 1.0080 0
1246 T 208 MOH HC HA 0.000251 1.0080 0
1247 T 208 MOH O OH1 -0.839748 15.9990 0
1248 T 208 MOH H H 0.481963 1.0080 0
1249 T 209 MOH C CT3 0.459976 12.0110 0
1250 T 209 MOH HA HA -0.051230 1.0080 0
1251 T 209 MOH HB HA -0.051212 1.0080 0
1252 T 209 MOH HC HA 0.000251 1.0080 0
1253 T 209 MOH O OH1 -0.839748 15.9990 0
1254 T 209 MOH H H 0.481963 1.0080 0
1255 T 210 MOH C CT3 0.459976 12.0110 0
1256 T 210 MOH HA HA -0.051230 1.0080 0
1257 T 210 MOH HB HA -0.051212 1.0080 0
1258 T 210 MOH HC HA 0.000251 1.0080 0
1259 T 210 MOH O OH1 -0.839748 15.9990 0
1260 T 210 MOH H H 0.481963 1.0080 0
1261 T 211 MOH C CT3 0.459976 12.0110 0
1262 T 211 MOH HA HA -0.051230 1.0080 0
1263 T 211 MOH HB HA -0.051212 1.0080 0
1264 T 211 MOH HC HA 0.000251 1.0080 0
1265 T 211 MOH O OH1 -0.839748 15.9990 0
1266 T 211 MOH H H 0.481963 1.0080 0
1267 T 212 MOH C CT3 0.459976 12.0110 0
1268 T 212 MOH HA HA -0.051230 1.0080 0
1269 T 212 MOH HB HA -0.051212 1.0080 0
1270 T 212 MOH HC HA 0.000251 1.0080 0
1271 T 212 MOH O OH1 -0.839748 15.9990 0
1272 T 212 MOH H H 0.481963 1.0080 0
1273 T 213 MOH C CT3 0.459976 12.0110 0
1274 T 213 MOH HA HA -0.051230 1.0080 0
1275 T 213 MOH HB HA -0.051212 1.0080 0
1276 T 213 MOH HC HA 0.000251 1.0080 0
1277 T 213 MOH O OH1 -0.839748 15.9990 0
1278 T 213 MOH H H 0.481963 1.0080 0
1279 T 214 MOH C CT3 0.459976 12.0110 0
1280 T 214 MOH HA HA -0.051230 1.0080 0
1281 T 214 MOH HB HA -0.051212 1.0080 0
1282 T 214 MOH HC HA 0.000251 1.0080 0
1283 T 214 MOH O OH1 -0.839748 15.9990 0
1284 T 214 MOH H H 0.481963 1.0080 0
1285 T 215 MOH C CT3 0.459976 12.0110 0
1286 T 215 MOH HA HA -0.051230 1.0080 0
1287 T 215 MOH HB HA -0.051212 1.0080 0
1288 T 215 MOH HC HA 0.000251 1.0080 0
1289 T 215 MOH O OH1 -0.839748 15.9990 0
1290 T 215 MOH H H 0.481963 1.0080 0
1291 T 216 POT K POT 1.000000 39.1020 0
1075 !NBOND: bonds
1 5 1 2 1 3 1 4
5 6 7 11 7 8 7 9
7 10 11 12 13 17 13 14
13 15 13 16 17 18 19 23
19 20 19 21 19 22 23 24
25 29 25 26 25 27 25 28
29 30 31 35 31 32 31 33
31 34 35 36 37 41 37 38
37 39 37 40 41 42 43 47
43 44 43 45 43 46 47 48
49 53 49 50 49 51 49 52
53 54 55 59 55 56 55 57
55 58 59 60 61 65 61 62
61 63 61 64 65 66 67 71
67 68 67 69 67 70 71 72
73 77 73 74 73 75 73 76
77 78 79 83 79 80 79 81
79 82 83 84 85 89 85 86
85 87 85 88 89 90 91 95
91 92 91 93 91 94 95 96
97 101 97 98 97 99 97 100
101 102 103 107 103 104 103 105
103 106 107 108 109 113 109 110
109 111 109 112 113 114 115 119
115 116 115 117 115 118 119 120
121 125 121 122 121 123 121 124
125 126 127 131 127 128 127 129
127 130 131 132 133 137 133 134
133 135 133 136 137 138 139 143
139 140 139 141 139 142 143 144
145 149 145 146 145 147 145 148
149 150 151 155 151 152 151 153
151 154 155 156 157 161 157 158
157 159 157 160 161 162 163 167
163 164 163 165 163 166 167 168
169 173 169 170 169 171 169 172
173 174 175 179 175 176 175 177
175 178 179 180 181 185 181 182
181 183 181 184 185 186 187 191
187 188 187 189 187 190 191 192
193 197 193 194 193 195 193 196
197 198 199 203 199 200 199 201
199 202 203 204 205 209 205 206
205 207 205 208 209 210 211 215
211 212 211 213 211 214 215 216
217 221 217 218 217 219 217 220
221 222 223 227 223 224 223 225
223 226 227 228 229 233 229 230
229 231 229 232 233 234 235 239
235 236 235 237 235 238 239 240
241 245 241 242 241 243 241 244
245 246 247 251 247 248 247 249
247 250 251 252 253 257 253 254
253 255 253 256 257 258 259 263
259 260 259 261 259 262 263 264
265 269 265 266 265 267 265 268
269 270 271 275 271 272 271 273
271 274 275 276 277 281 277 278
277 279 277 280 281 282 283 287
283 284 283 285 283 286 287 288
289 293 289 290 289 291 289 292
293 294 295 299 295 296 295 297
295 298 299 300 301 305 301 302
301 303 301 304 305 306 307 311
307 308 307 309 307 310 311 312
313 317 313 314 313 315 313 316
317 318 319 323 319 320 319 321
319 322 323 324 325 329 325 326
325 327 325 328 329 330 331 335
331 332 331 333 331 334 335 336
337 341 337 338 337 339 337 340
341 342 343 347 343 344 343 345
343 346 347 348 349 353 349 350
349 351 349 352 353 354 355 359
355 356 355 357 355 358 359 360
361 365 361 362 361 363 361 364
365 366 367 371 367 368 367 369
367 370 371 372 373 377 373 374
373 375 373 376 377 378 379 383
379 380 379 381 379 382 383 384
385 389 385 386 385 387 385 388
389 390 391 395 391 392 391 393
391 394 395 396 397 401 397 398
397 399 397 400 401 402 403 407
403 404 403 405 403 406 407 408
409 413 409 410 409 411 409 412
413 414 415 419 415 416 415 417
415 418 419 420 421 425 421 422
421 423 421 424 425 426 427 431
427 428 427 429 427 430 431 432
433 437 433 434 433 435 433 436
437 438 439 443 439 440 439 441
439 442 443 444 445 449 445 446
445 447 445 448 449 450 451 455
451 452 451 453 451 454 455 456
457 461 457 458 457 459 457 460
461 462 463 467 463 464 463 465
463 466 467 468 469 473 469 470
469 471 469 472 473 474 475 479
475 476 475 477 475 478 479 480
481 485 481 482 481 483 481 484
485 486 487 491 487 488 487 489
487 490 491 492 493 497 493 494
493 495 493 496 497 498 499 503
499 500 499 501 499 502 503 504
505 509 505 506 505 507 505 508
509 510 511 515 511 512 511 513
511 514 515 516 517 521 517 518
517 519 517 520 521 522 523 527
523 524 523 525 523 526 527 528
529 533 529 530 529 531 529 532
533 534 535 539 535 536 535 537
535 538 539 540 541 545 541 542
541 543 541 544 545 546 547 551
547 548 547 549 547 550 551 552
553 557 553 554 553 555 553 556
557 558 559 563 559 560 559 561
559 562 563 564 565 569 565 566
565 567 565 568 569 570 571 575
571 572 571 573 571 574 575 576
577 581 577 578 577 579 577 580
581 582 583 587 583 584 583 585
583 586 587 588 589 593 589 590
589 591 589 592 593 594 595 599
595 596 595 597 595 598 599 600
601 605 601 602 601 603 601 604
605 606 607 611 607 608 607 609
607 610 611 612 613 617 613 614
613 615 613 616 617 618 619 623
619 620 619 621 619 622 623 624
625 629 625 626 625 627 625 628
629 630 631 635 631 632 631 633
631 634 635 636 637 641 637 638
637 639 637 640 641 642 643 647
643 644 643 645 643 646 647 648
649 653 649 650 649 651 649 652
653 654 655 659 655 656 655 657
655 658 659 660 661 665 661 662
661 663 661 664 665 666 667 671
667 668 667 669 667 670 671 672
673 677 673 674 673 675 673 676
677 678 679 683 679 680 679 681
679 682 683 684 685 689 685 686
685 687 685 688 689 690 691 695
691 692 691 693 691 694 695 696
697 701 697 698 697 699 697 700
701 702 703 707 703 704 703 705
703 706 707 708 709 713 709 710
709 711 709 712 713 714 715 719
715 716 715 717 715 718 719 720
721 725 721 722 721 723 721 724
725 726 727 731 727 728 727 729
727 730 731 732 733 737 733 734
733 735 733 736 737 738 739 743
739 740 739 741 739 742 743 744
745 749 745 746 745 747 745 748
749 750 751 755 751 752 751 753
751 754 755 756 757 761 757 758
757 759 757 760 761 762 763 767
763 764 763 765 763 766 767 768
769 773 769 770 769 771 769 772
773 774 775 779 775 776 775 777
775 778 779 780 781 785 781 782
781 783 781 784 785 786 787 791
787 788 787 789 787 790 791 792
793 797 793 794 793 795 793 796
797 798 799 803 799 800 799 801
799 802 803 804 805 809 805 806
805 807 805 808 809 810 811 815
811 812 811 813 811 814 815 816
817 821 817 818 817 819 817 820
821 822 823 827 823 824 823 825
823 826 827 828 829 833 829 830
829 831 829 832 833 834 835 839
835 836 835 837 835 838 839 840
841 845 841 842 841 843 841 844
845 846 847 851 847 848 847 849
847 850 851 852 853 857 853 854
853 855 853 856 857 858 859 863
859 860 859 861 859 862 863 864
865 869 865 866 865 867 865 868
869 870 871 875 871 872 871 873
871 874 875 876 877 881 877 878
877 879 877 880 881 882 883 887
883 884 883 885 883 886 887 888
889 893 889 890 889 891 889 892
893 894 895 899 895 896 895 897
895 898 899 900 901 905 901 902
901 903 901 904 905 906 907 911
907 908 907 909 907 910 911 912
913 917 913 914 913 915 913 916
917 918 919 923 919 920 919 921
919 922 923 924 925 929 925 926
925 927 925 928 929 930 931 935
931 932 931 933 931 934 935 936
937 941 937 938 937 939 937 940
941 942 943 947 943 944 943 945
943 946 947 948 949 953 949 950
949 951 949 952 953 954 955 959
955 956 955 957 955 958 959 960
961 965 961 962 961 963 961 964
965 966 967 971 967 968 967 969
967 970 971 972 973 977 973 974
973 975 973 976 977 978 979 983
979 980 979 981 979 982 983 984
985 989 985 986 985 987 985 988
989 990 991 995 991 992 991 993
991 994 995 996 997 1001 997 998
997 999 997 1000 1001 1002 1003 1007
1003 1004 1003 1005 1003 1006 1007 1008
1009 1013 1009 1010 1009 1011 1009 1012
1013 1014 1015 1019 1015 1016 1015 1017
1015 1018 1019 1020 1021 1025 1021 1022
1021 1023 1021 1024 1025 1026 1027 1031
1027 1028 1027 1029 1027 1030 1031 1032
1033 1037 1033 1034 1033 1035 1033 1036
1037 1038 1039 1043 1039 1040 1039 1041
1039 1042 1043 1044 1045 1049 1045 1046
1045 1047 1045 1048 1049 1050 1051 1055
1051 1052 1051 1053 1051 1054 1055 1056
1057 1061 1057 1058 1057 1059 1057 1060
1061 1062 1063 1067 1063 1064 1063 1065
1063 1066 1067 1068 1069 1073 1069 1070
1069 1071 1069 1072 1073 1074 1075 1079
1075 1076 1075 1077 1075 1078 1079 1080
1081 1085 1081 1082 1081 1083 1081 1084
1085 1086 1087 1091 1087 1088 1087 1089
1087 1090 1091 1092 1093 1097 1093 1094
1093 1095 1093 1096 1097 1098 1099 1103
1099 1100 1099 1101 1099 1102 1103 1104
1105 1109 1105 1106 1105 1107 1105 1108
1109 1110 1111 1115 1111 1112 1111 1113
1111 1114 1115 1116 1117 1121 1117 1118
1117 1119 1117 1120 1121 1122 1123 1127
1123 1124 1123 1125 1123 1126 1127 1128
1129 1133 1129 1130 1129 1131 1129 1132
1133 1134 1135 1139 1135 1136 1135 1137
1135 1138 1139 1140 1141 1145 1141 1142
1141 1143 1141 1144 1145 1146 1147 1151
1147 1148 1147 1149 1147 1150 1151 1152
1153 1157 1153 1154 1153 1155 1153 1156
1157 1158 1159 1163 1159 1160 1159 1161
1159 1162 1163 1164 1165 1169 1165 1166
1165 1167 1165 1168 1169 1170 1171 1175
1171 1172 1171 1173 1171 1174 1175 1176
1177 1181 1177 1178 1177 1179 1177 1180
1181 1182 1183 1187 1183 1184 1183 1185
1183 1186 1187 1188 1189 1193 1189 1190
1189 1191 1189 1192 1193 1194 1195 1199
1195 1196 1195 1197 1195 1198 1199 1200
1201 1205 1201 1202 1201 1203 1201 1204
1205 1206 1207 1211 1207 1208 1207 1209
1207 1210 1211 1212 1213 1217 1213 1214
1213 1215 1213 1216 1217 1218 1219 1223
1219 1220 1219 1221 1219 1222 1223 1224
1225 1229 1225 1226 1225 1227 1225 1228
1229 1230 1231 1235 1231 1232 1231 1233
1231 1234 1235 1236 1237 1241 1237 1238
1237 1239 1237 1240 1241 1242 1243 1247
1243 1244 1243 1245 1243 1246 1247 1248
1249 1253 1249 1250 1249 1251 1249 1252
1253 1254 1255 1259 1255 1256 1255 1257
1255 1258 1259 1260 1261 1265 1261 1262
1261 1263 1261 1264 1265 1266 1267 1271
1267 1268 1267 1269 1267 1270 1271 1272
1273 1277 1273 1274 1273 1275 1273 1276
1277 1278 1279 1283 1279 1280 1279 1281
1279 1282 1283 1284 1285 1289 1285 1286
1285 1287 1285 1288 1289 1290
1505 !NTHETA: angles
1 5 6 2 1 4 2 1 3
3 1 4 5 1 4 5 1 3
5 1 2 7 11 12 8 7 10
8 7 9 9 7 10 11 7 10
11 7 9 11 7 8 13 17 18
14 13 16 14 13 15 15 13 16
17 13 16 17 13 15 17 13 14
19 23 24 20 19 22 20 19 21
21 19 22 23 19 22 23 19 21
23 19 20 25 29 30 26 25 28
26 25 27 27 25 28 29 25 28
29 25 27 29 25 26 31 35 36
32 31 34 32 31 33 33 31 34
35 31 34 35 31 33 35 31 32
37 41 42 38 37 40 38 37 39
39 37 40 41 37 40 41 37 39
41 37 38 43 47 48 44 43 46
44 43 45 45 43 46 47 43 46
47 43 45 47 43 44 49 53 54
50 49 52 50 49 51 51 49 52
53 49 52 53 49 51 53 49 50
55 59 60 56 55 58 56 55 57
57 55 58 59 55 58 59 55 57
59 55 56 61 65 66 62 61 64
62 61 63 63 61 64 65 61 64
65 61 63 65 61 62 67 71 72
68 67 70 68 67 69 69 67 70
71 67 70 71 67 69 71 67 68
73 77 78 74 73 76 74 73 75
75 73 76 77 73 76 77 73 75
77 73 74 79 83 84 80 79 82
80 79 81 81 79 82 83 79 82
83 79 81 83 79 80 85 89 90
86 85 88 86 85 87 87 85 88
89 85 88 89 85 87 89 85 86
91 95 96 92 91 94 92 91 93
93 91 94 95 91 94 95 91 93
95 91 92 97 101 102 98 97 100
98 97 99 99 97 100 101 97 100
101 97 99 101 97 98 103 107 108
104 103 106 104 103 105 105 103 106
107 103 106 107 103 105 107 103 104
109 113 114 110 109 112 110 109 111
111 109 112 113 109 112 113 109 111
113 109 110 115 119 120 116 115 118
116 115 117 117 115 118 119 115 118
119 115 117 119 115 116 121 125 126
122 121 124 122 121 123 123 121 124
125 121 124 125 121 123 125 121 122
127 131 132 128 127 130 128 127 129
129 127 130 131 127 130 131 127 129
131 127 128 133 137 138 134 133 136
134 133 135 135 133 136 137 133 136
137 133 135 137 133 134 139 143 144
140 139 142 140 139 141 141 139 142
143 139 142 143 139 141 143 139 140
145 149 150 146 145 148 146 145 147
147 145 148 149 145 148 149 145 147
149 145 146 151 155 156 152 151 154
152 151 153 153 151 154 155 151 154
155 151 153 155 151 152 157 161 162
158 157 160 158 157 159 159 157 160
161 157 160 161 157 159 161 157 158
163 167 168 164 163 166 164 163 165
165 163 166 167 163 166 167 163 165
167 163 164 169 173 174 170 169 172
170 169 171 171 169 172 173 169 172
173 169 171 173 169 170 175 179 180
176 175 178 176 175 177 177 175 178
179 175 178 179 175 177 179 175 176
181 185 186 182 181 184 182 181 183
183 181 184 185 181 184 185 181 183
185 181 182 187 191 192 188 187 190
188 187 189 189 187 190 191 187 190
191 187 189 191 187 188 193 197 198
194 193 196 194 193 195 195 193 196
197 193 196 197 193 195 197 193 194
199 203 204 200 199 202 200 199 201
201 199 202 203 199 202 203 199 201
203 199 200 205 209 210 206 205 208
206 205 207 207 205 208 209 205 208
209 205 207 209 205 206 211 215 216
212 211 214 212 211 213 213 211 214
215 211 214 215 211 213 215 211 212
217 221 222 218 217 220 218 217 219
219 217 220 221 217 220 221 217 219
221 217 218 223 227 228 224 223 226
224 223 225 225 223 226 227 223 226
227 223 225 227 223 224 229 233 234
230 229 232 230 229 231 231 229 232
233 229 232 233 229 231 233 229 230
235 239 240 236 235 238 236 235 237
237 235 238 239 235 238 239 235 237
239 235 236 241 245 246 242 241 244
242 241 243 243 241 244 245 241 244
245 241 243 245 241 242 247 251 252
248 247 250 248 247 249 249 247 250
251 247 250 251 247 249 251 247 248
253 257 258 254 253 256 254 253 255
255 253 256 257 253 256 257 253 255
257 253 254 259 263 264 260 259 262
260 259 261 261 259 262 263 259 262
263 259 261 263 259 260 265 269 270
266 265 268 266 265 267 267 265 268
269 265 268 269 265 267 269 265 266
271 275 276 272 271 274 272 271 273
273 271 274 275 271 274 275 271 273
275 271 272 277 281 282 278 277 280
278 277 279 279 277 280 281 277 280
281 277 279 281 277 278 283 287 288
284 283 286 284 283 285 285 283 286
287 283 286 287 283 285 287 283 284
289 293 294 290 289 292 290 289 291
291 289 292 293 289 292 293 289 291
293 289 290 295 299 300 296 295 298
296 295 297 297 295 298 299 295 298
299 295 297 299 295 296 301 305 306
302 301 304 302 301 303 303 301 304
305 301 304 305 301 303 305 301 302
307 311 312 308 307 310 308 307 309
309 307 310 311 307 310 311 307 309
311 307 308 313 317 318 314 313 316
314 313 315 315 313 316 317 313 316
317 313 315 317 313 314 319 323 324
320 319 322 320 319 321 321 319 322
323 319 322 323 319 321 323 319 320
325 329 330 326 325 328 326 325 327
327 325 328 329 325 328 329 325 327
329 325 326 331 335 336 332 331 334
332 331 333 333 331 334 335 331 334
335 331 333 335 331 332 337 341 342
338 337 340 338 337 339 339 337 340
341 337 340 341 337 339 341 337 338
343 347 348 344 343 346 344 343 345
345 343 346 347 343 346 347 343 345
347 343 344 349 353 354 350 349 352
350 349 351 351 349 352 353 349 352
353 349 351 353 349 350 355 359 360
356 355 358 356 355 357 357 355 358
359 355 358 359 355 357 359 355 356
361 365 366 362 361 364 362 361 363
363 361 364 365 361 364 365 361 363
365 361 362 367 371 372 368 367 370
368 367 369 369 367 370 371 367 370
371 367 369 371 367 368 373 377 378
374 373 376 374 373 375 375 373 376
377 373 376 377 373 375 377 373 374
379 383 384 380 379 382 380 379 381
381 379 382 383 379 382 383 379 381
383 379 380 385 389 390 386 385 388
386 385 387 387 385 388 389 385 388
389 385 387 389 385 386 391 395 396
392 391 394 392 391 393 393 391 394
395 391 394 395 391 393 395 391 392
397 401 402 398 397 400 398 397 399
399 397 400 401 397 400 401 397 399
401 397 398 403 407 408 404 403 406
404 403 405 405 403 406 407 403 406
407 403 405 407 403 404 409 413 414
410 409 412 410 409 411 411 409 412
413 409 412 413 409 411 413 409 410
415 419 420 416 415 418 416 415 417
417 415 418 419 415 418 419 415 417
419 415 416 421 425 426 422 421 424
422 421 423 423 421 424 425 421 424
425 421 423 425 421 422 427 431 432
428 427 430 428 427 429 429 427 430
431 427 430 431 427 429 431 427 428
433 437 438 434 433 436 434 433 435
435 433 436 437 433 436 437 433 435
437 433 434 439 443 444 440 439 442
440 439 441 441 439 442 443 439 442
443 439 441 443 439 440 445 449 450
446 445 448 446 445 447 447 445 448
449 445 448 449 445 447 449 445 446
451 455 456 452 451 454 452 451 453
453 451 454 455 451 454 455 451 453
455 451 452 457 461 462 458 457 460
458 457 459 459 457 460 461 457 460
461 457 459 461 457 458 463 467 468
464 463 466 464 463 465 465 463 466
467 463 466 467 463 465 467 463 464
469 473 474 470 469 472 470 469 471
471 469 472 473 469 472 473 469 471
473 469 470 475 479 480 476 475 478
476 475 477 477 475 478 479 475 478
479 475 477 479 475 476 481 485 486
482 481 484 482 481 483 483 481 484
485 481 484 485 481 483 485 481 482
487 491 492 488 487 490 488 487 489
489 487 490 491 487 490 491 487 489
491 487 488 493 497 498 494 493 496
494 493 495 495 493 496 497 493 496
497 493 495 497 493 494 499 503 504
500 499 502 500 499 501 501 499 502
503 499 502 503 499 501 503 499 500
505 509 510 506 505 508 506 505 507
507 505 508 509 505 508 509 505 507
509 505 506 511 515 516 512 511 514
512 511 513 513 511 514 515 511 514
515 511 513 515 511 512 517 521 522
518 517 520 518 517 519 519 517 520
521 517 520 521 517 519 521 517 518
523 527 528 524 523 526 524 523 525
525 523 526 527 523 526 527 523 525
527 523 524 529 533 534 530 529 532
530 529 531 531 529 532 533 529 532
533 529 531 533 529 530 535 539 540
536 535 538 536 535 537 537 535 538
539 535 538 539 535 537 539 535 536
541 545 546 542 541 544 542 541 543
543 541 544 545 541 544 545 541 543
545 541 542 547 551 552 548 547 550
548 547 549 549 547 550 551 547 550
551 547 549 551 547 548 553 557 558
554 553 556 554 553 555 555 553 556
557 553 556 557 553 555 557 553 554
559 563 564 560 559 562 560 559 561
561 559 562 563 559 562 563 559 561
563 559 560 565 569 570 566 565 568
566 565 567 567 565 568 569 565 568
569 565 567 569 565 566 571 575 576
572 571 574 572 571 573 573 571 574
575 571 574 575 571 573 575 571 572
577 581 582 578 577 580 578 577 579
579 577 580 581 577 580 581 577 579
581 577 578 583 587 588 584 583 586
584 583 585 585 583 586 587 583 586
587 583 585 587 583 584 589 593 594
590 589 592 590 589 591 591 589 592
593 589 592 593 589 591 593 589 590
595 599 600 596 595 598 596 595 597
597 595 598 599 595 598 599 595 597
599 595 596 601 605 606 602 601 604
602 601 603 603 601 604 605 601 604
605 601 603 605 601 602 607 611 612
608 607 610 608 607 609 609 607 610
611 607 610 611 607 609 611 607 608
613 617 618 614 613 616 614 613 615
615 613 616 617 613 616 617 613 615
617 613 614 619 623 624 620 619 622
620 619 621 621 619 622 623 619 622
623 619 621 623 619 620 625 629 630
626 625 628 626 625 627 627 625 628
629 625 628 629 625 627 629 625 626
631 635 636 632 631 634 632 631 633
633 631 634 635 631 634 635 631 633
635 631 632 637 641 642 638 637 640
638 637 639 639 637 640 641 637 640
641 637 639 641 637 638 643 647 648
644 643 646 644 643 645 645 643 646
647 643 646 647 643 645 647 643 644
649 653 654 650 649 652 650 649 651
651 649 652 653 649 652 653 649 651
653 649 650 655 659 660 656 655 658
656 655 657 657 655 658 659 655 658
659 655 657 659 655 656 661 665 666
662 661 664 662 661 663 663 661 664
665 661 664 665 661 663 665 661 662
667 671 672 668 667 670 668 667 669
669 667 670 671 667 670 671 667 669
671 667 668 673 677 678 674 673 676
674 673 675 675 673 676 677 673 676
677 673 675 677 673 674 679 683 684
680 679 682 680 679 681 681 679 682
683 679 682 683 679 681 683 679 680
685 689 690 686 685 688 686 685 687
687 685 688 689 685 688 689 685 687
689 685 686 691 695 696 692 691 694
692 691 693 693 691 694 695 691 694
695 691 693 695 691 692 697 701 702
698 697 700 698 697 699 699 697 700
701 697 700 701 697 699 701 697 698
703 707 708 704 703 706 704 703 705
705 703 706 707 703 706 707 703 705
707 703 704 709 713 714 710 709 712
710 709 711 711 709 712 713 709 712
713 709 711 713 709 710 715 719 720
716 715 718 716 715 717 717 715 718
719 715 718 719 715 717 719 715 716
721 725 726 722 721 724 722 721 723
723 721 724 725 721 724 725 721 723
725 721 722 727 731 732 728 727 730
728 727 729 729 727 730 731 727 730
731 727 729 731 727 728 733 737 738
734 733 736 734 733 735 735 733 736
737 733 736 737 733 735 737 733 734
739 743 744 740 739 742 740 739 741
741 739 742 743 739 742 743 739 741
743 739 740 745 749 750 746 745 748
746 745 747 747 745 748 749 745 748
749 745 747 749 745 746 751 755 756
752 751 754 752 751 753 753 751 754
755 751 754 755 751 753 755 751 752
757 761 762 758 757 760 758 757 759
759 757 760 761 757 760 761 757 759
761 757 758 763 767 768 764 763 766
764 763 765 765 763 766 767 763 766
767 763 765 767 763 764 769 773 774
770 769 772 770 769 771 771 769 772
773 769 772 773 769 771 773 769 770
775 779 780 776 775 778 776 775 777
777 775 778 779 775 778 779 775 777
779 775 776 781 785 786 782 781 784
782 781 783 783 781 784 785 781 784
785 781 783 785 781 782 787 791 792
788 787 790 788 787 789 789 787 790
791 787 790 791 787 789 791 787 788
793 797 798 794 793 796 794 793 795
795 793 796 797 793 796 797 793 795
797 793 794 799 803 804 800 799 802
800 799 801 801 799 802 803 799 802
803 799 801 803 799 800 805 809 810
806 805 808 806 805 807 807 805 808
809 805 808 809 805 807 809 805 806
811 815 816 812 811 814 812 811 813
813 811 814 815 811 814 815 811 813
815 811 812 817 821 822 818 817 820
818 817 819 819 817 820 821 817 820
821 817 819 821 817 818 823 827 828
824 823 826 824 823 825 825 823 826
827 823 826 827 823 825 827 823 824
829 833 834 830 829 832 830 829 831
831 829 832 833 829 832 833 829 831
833 829 830 835 839 840 836 835 838
836 835 837 837 835 838 839 835 838
839 835 837 839 835 836 841 845 846
842 841 844 842 841 843 843 841 844
845 841 844 845 841 843 845 841 842
847 851 852 848 847 850 848 847 849
849 847 850 851 847 850 851 847 849
851 847 848 853 857 858 854 853 856
854 853 855 855 853 856 857 853 856
857 853 855 857 853 854 859 863 864
860 859 862 860 859 861 861 859 862
863 859 862 863 859 861 863 859 860
865 869 870 866 865 868 866 865 867
867 865 868 869 865 868 869 865 867
869 865 866 871 875 876 872 871 874
872 871 873 873 871 874 875 871 874
875 871 873 875 871 872 877 881 882
878 877 880 878 877 879 879 877 880
881 877 880 881 877 879 881 877 878
883 887 888 884 883 886 884 883 885
885 883 886 887 883 886 887 883 885
887 883 884 889 893 894 890 889 892
890 889 891 891 889 892 893 889 892
893 889 891 893 889 890 895 899 900
896 895 898 896 895 897 897 895 898
899 895 898 899 895 897 899 895 896
901 905 906 902 901 904 902 901 903
903 901 904 905 901 904 905 901 903
905 901 902 907 911 912 908 907 910
908 907 909 909 907 910 911 907 910
911 907 909 911 907 908 913 917 918
914 913 916 914 913 915 915 913 916
917 913 916 917 913 915 917 913 914
919 923 924 920 919 922 920 919 921
921 919 922 923 919 922 923 919 921
923 919 920 925 929 930 926 925 928
926 925 927 927 925 928 929 925 928
929 925 927 929 925 926 931 935 936
932 931 934 932 931 933 933 931 934
935 931 934 935 931 933 935 931 932
937 941 942 938 937 940 938 937 939
939 937 940 941 937 940 941 937 939
941 937 938 943 947 948 944 943 946
944 943 945 945 943 946 947 943 946
947 943 945 947 943 944 949 953 954
950 949 952 950 949 951 951 949 952
953 949 952 953 949 951 953 949 950
955 959 960 956 955 958 956 955 957
957 955 958 959 955 958 959 955 957
959 955 956 961 965 966 962 961 964
962 961 963 963 961 964 965 961 964
965 961 963 965 961 962 967 971 972
968 967 970 968 967 969 969 967 970
971 967 970 971 967 969 971 967 968
973 977 978 974 973 976 974 973 975
975 973 976 977 973 976 977 973 975
977 973 974 979 983 984 980 979 982
980 979 981 981 979 982 983 979 982
983 979 981 983 979 980 985 989 990
986 985 988 986 985 987 987 985 988
989 985 988 989 985 987 989 985 986
991 995 996 992 991 994 992 991 993
993 991 994 995 991 994 995 991 993
995 991 992 997 1001 1002 998 997 1000
998 997 999 999 997 1000 1001 997 1000
1001 997 999 1001 997 998 1003 1007 1008
1004 1003 1006 1004 1003 1005 1005 1003 1006
1007 1003 1006 1007 1003 1005 1007 1003 1004
1009 1013 1014 1010 1009 1012 1010 1009 1011
1011 1009 1012 1013 1009 1012 1013 1009 1011
1013 1009 1010 1015 1019 1020 1016 1015 1018
1016 1015 1017 1017 1015 1018 1019 1015 1018
1019 1015 1017 1019 1015 1016 1021 1025 1026
1022 1021 1024 1022 1021 1023 1023 1021 1024
1025 1021 1024 1025 1021 1023 1025 1021 1022
1027 1031 1032 1028 1027 1030 1028 1027 1029
1029 1027 1030 1031 1027 1030 1031 1027 1029
1031 1027 1028 1033 1037 1038 1034 1033 1036
1034 1033 1035 1035 1033 1036 1037 1033 1036
1037 1033 1035 1037 1033 1034 1039 1043 1044
1040 1039 1042 1040 1039 1041 1041 1039 1042
1043 1039 1042 1043 1039 1041 1043 1039 1040
1045 1049 1050 1046 1045 1048 1046 1045 1047
1047 1045 1048 1049 1045 1048 1049 1045 1047
1049 1045 1046 1051 1055 1056 1052 1051 1054
1052 1051 1053 1053 1051 1054 1055 1051 1054
1055 1051 1053 1055 1051 1052 1057 1061 1062
1058 1057 1060 1058 1057 1059 1059 1057 1060
1061 1057 1060 1061 1057 1059 1061 1057 1058
1063 1067 1068 1064 1063 1066 1064 1063 1065
1065 1063 1066 1067 1063 1066 1067 1063 1065
1067 1063 1064 1069 1073 1074 1070 1069 1072
1070 1069 1071 1071 1069 1072 1073 1069 1072
1073 1069 1071 1073 1069 1070 1075 1079 1080
1076 1075 1078 1076 1075 1077 1077 1075 1078
1079 1075 1078 1079 1075 1077 1079 1075 1076
1081 1085 1086 1082 1081 1084 1082 1081 1083
1083 1081 1084 1085 1081 1084 1085 1081 1083
1085 1081 1082 1087 1091 1092 1088 1087 1090
1088 1087 1089 1089 1087 1090 1091 1087 1090
1091 1087 1089 1091 1087 1088 1093 1097 1098
1094 1093 1096 1094 1093 1095 1095 1093 1096
1097 1093 1096 1097 1093 1095 1097 1093 1094
1099 1103 1104 1100 1099 1102 1100 1099 1101
1101 1099 1102 1103 1099 1102 1103 1099 1101
1103 1099 1100 1105 1109 1110 1106 1105 1108
1106 1105 1107 1107 1105 1108 1109 1105 1108
1109 1105 1107 1109 1105 1106 1111 1115 1116
1112 1111 1114 1112 1111 1113 1113 1111 1114
1115 1111 1114 1115 1111 1113 1115 1111 1112
1117 1121 1122 1118 1117 1120 1118 1117 1119
1119 1117 1120 1121 1117 1120 1121 1117 1119
1121 1117 1118 1123 1127 1128 1124 1123 1126
1124 1123 1125 1125 1123 1126 1127 1123 1126
1127 1123 1125 1127 1123 1124 1129 1133 1134
1130 1129 1132 1130 1129 1131 1131 1129 1132
1133 1129 1132 1133 1129 1131 1133 1129 1130
1135 1139 1140 1136 1135 1138 1136 1135 1137
1137 1135 1138 1139 1135 1138 1139 1135 1137
1139 1135 1136 1141 1145 1146 1142 1141 1144
1142 1141 1143 1143 1141 1144 1145 1141 1144
1145 1141 1143 1145 1141 1142 1147 1151 1152
1148 1147 1150 1148 1147 1149 1149 1147 1150
1151 1147 1150 1151 1147 1149 1151 1147 1148
1153 1157 1158 1154 1153 1156 1154 1153 1155
1155 1153 1156 1157 1153 1156 1157 1153 1155
1157 1153 1154 1159 1163 1164 1160 1159 1162
1160 1159 1161 1161 1159 1162 1163 1159 1162
1163 1159 1161 1163 1159 1160 1165 1169 1170
1166 1165 1168 1166 1165 1167 1167 1165 1168
1169 1165 1168 1169 1165 1167 1169 1165 1166
1171 1175 1176 1172 1171 1174 1172 1171 1173
1173 1171 1174 1175 1171 1174 1175 1171 1173
1175 1171 1172 1177 1181 1182 1178 1177 1180
1178 1177 1179 1179 1177 1180 1181 1177 1180
1181 1177 1179 1181 1177 1178 1183 1187 1188
1184 1183 1186 1184 1183 1185 1185 1183 1186
1187 1183 1186 1187 1183 1185 1187 1183 1184
1189 1193 1194 1190 1189 1192 1190 1189 1191
1191 1189 1192 1193 1189 1192 1193 1189 1191
1193 1189 1190 1195 1199 1200 1196 1195 1198
1196 1195 1197 1197 1195 1198 1199 1195 1198
1199 1195 1197 1199 1195 1196 1201 1205 1206
1202 1201 1204 1202 1201 1203 1203 1201 1204
1205 1201 1204 1205 1201 1203 1205 1201 1202
1207 1211 1212 1208 1207 1210 1208 1207 1209
1209 1207 1210 1211 1207 1210 1211 1207 1209
1211 1207 1208 1213 1217 1218 1214 1213 1216
1214 1213 1215 1215 1213 1216 1217 1213 1216
1217 1213 1215 1217 1213 1214 1219 1223 1224
1220 1219 1222 1220 1219 1221 1221 1219 1222
1223 1219 1222 1223 1219 1221 1223 1219 1220
1225 1229 1230 1226 1225 1228 1226 1225 1227
1227 1225 1228 1229 1225 1228 1229 1225 1227
1229 1225 1226 1231 1235 1236 1232 1231 1234
1232 1231 1233 1233 1231 1234 1235 1231 1234
1235 1231 1233 1235 1231 1232 1237 1241 1242
1238 1237 1240 1238 1237 1239 1239 1237 1240
1241 1237 1240 1241 1237 1239 1241 1237 1238
1243 1247 1248 1244 1243 1246 1244 1243 1245
1245 1243 1246 1247 1243 1246 1247 1243 1245
1247 1243 1244 1249 1253 1254 1250 1249 1252
1250 1249 1251 1251 1249 1252 1253 1249 1252
1253 1249 1251 1253 1249 1250 1255 1259 1260
1256 1255 1258 1256 1255 1257 1257 1255 1258
1259 1255 1258 1259 1255 1257 1259 1255 1256
1261 1265 1266 1262 1261 1264 1262 1261 1263
1263 1261 1264 1265 1261 1264 1265 1261 1263
1265 1261 1262 1267 1271 1272 1268 1267 1270
1268 1267 1269 1269 1267 1270 1271 1267 1270
1271 1267 1269 1271 1267 1268 1273 1277 1278
1274 1273 1276 1274 1273 1275 1275 1273 1276
1277 1273 1276 1277 1273 1275 1277 1273 1274
1279 1283 1284 1280 1279 1282 1280 1279 1281
1281 1279 1282 1283 1279 1282 1283 1279 1281
1283 1279 1280 1285 1289 1290 1286 1285 1288
1286 1285 1287 1287 1285 1288 1289 1285 1288
1289 1285 1287 1289 1285 1286
645 !NPHI: dihedrals
2 1 5 6 3 1 5 6
4 1 5 6 8 7 11 12
9 7 11 12 10 7 11 12
14 13 17 18 15 13 17 18
16 13 17 18 20 19 23 24
21 19 23 24 22 19 23 24
26 25 29 30 27 25 29 30
28 25 29 30 32 31 35 36
33 31 35 36 34 31 35 36
38 37 41 42 39 37 41 42
40 37 41 42 44 43 47 48
45 43 47 48 46 43 47 48
50 49 53 54 51 49 53 54
52 49 53 54 56 55 59 60
57 55 59 60 58 55 59 60
62 61 65 66 63 61 65 66
64 61 65 66 68 67 71 72
69 67 71 72 70 67 71 72
74 73 77 78 75 73 77 78
76 73 77 78 80 79 83 84
81 79 83 84 82 79 83 84
86 85 89 90 87 85 89 90
88 85 89 90 92 91 95 96
93 91 95 96 94 91 95 96
98 97 101 102 99 97 101 102
100 97 101 102 104 103 107 108
105 103 107 108 106 103 107 108
110 109 113 114 111 109 113 114
112 109 113 114 116 115 119 120
117 115 119 120 118 115 119 120
122 121 125 126 123 121 125 126
124 121 125 126 128 127 131 132
129 127 131 132 130 127 131 132
134 133 137 138 135 133 137 138
136 133 137 138 140 139 143 144
141 139 143 144 142 139 143 144
146 145 149 150 147 145 149 150
148 145 149 150 152 151 155 156
153 151 155 156 154 151 155 156
158 157 161 162 159 157 161 162
160 157 161 162 164 163 167 168
165 163 167 168 166 163 167 168
170 169 173 174 171 169 173 174
172 169 173 174 176 175 179 180
177 175 179 180 178 175 179 180
182 181 185 186 183 181 185 186
184 181 185 186 188 187 191 192
189 187 191 192 190 187 191 192
194 193 197 198 195 193 197 198
196 193 197 198 200 199 203 204
201 199 203 204 202 199 203 204
206 205 209 210 207 205 209 210
208 205 209 210 212 211 215 216
213 211 215 216 214 211 215 216
218 217 221 222 219 217 221 222
220 217 221 222 224 223 227 228
225 223 227 228 226 223 227 228
230 229 233 234 231 229 233 234
232 229 233 234 236 235 239 240
237 235 239 240 238 235 239 240
242 241 245 246 243 241 245 246
244 241 245 246 248 247 251 252
249 247 251 252 250 247 251 252
254 253 257 258 255 253 257 258
256 253 257 258 260 259 263 264
261 259 263 264 262 259 263 264
266 265 269 270 267 265 269 270
268 265 269 270 272 271 275 276
273 271 275 276 274 271 275 276
278 277 281 282 279 277 281 282
280 277 281 282 284 283 287 288
285 283 287 288 286 283 287 288
290 289 293 294 291 289 293 294
292 289 293 294 296 295 299 300
297 295 299 300 298 295 299 300
302 301 305 306 303 301 305 306
304 301 305 306 308 307 311 312
309 307 311 312 310 307 311 312
314 313 317 318 315 313 317 318
316 313 317 318 320 319 323 324
321 319 323 324 322 319 323 324
326 325 329 330 327 325 329 330
328 325 329 330 332 331 335 336
333 331 335 336 334 331 335 336
338 337 341 342 339 337 341 342
340 337 341 342 344 343 347 348
345 343 347 348 346 343 347 348
350 349 353 354 351 349 353 354
352 349 353 354 356 355 359 360
357 355 359 360 358 355 359 360
362 361 365 366 363 361 365 366
364 361 365 366 368 367 371 372
369 367 371 372 370 367 371 372
374 373 377 378 375 373 377 378
376 373 377 378 380 379 383 384
381 379 383 384 382 379 383 384
386 385 389 390 387 385 389 390
388 385 389 390 392 391 395 396
393 391 395 396 394 391 395 396
398 397 401 402 399 397 401 402
400 397 401 402 404 403 407 408
405 403 407 408 406 403 407 408
410 409 413 414 411 409 413 414
412 409 413 414 416 415 419 420
417 415 419 420 418 415 419 420
422 421 425 426 423 421 425 426
424 421 425 426 428 427 431 432
429 427 431 432 430 427 431 432
434 433 437 438 435 433 437 438
436 433 437 438 440 439 443 444
441 439 443 444 442 439 443 444
446 445 449 450 447 445 449 450
448 445 449 450 452 451 455 456
453 451 455 456 454 451 455 456
458 457 461 462 459 457 461 462
460 457 461 462 464 463 467 468
465 463 467 468 466 463 467 468
470 469 473 474 471 469 473 474
472 469 473 474 476 475 479 480
477 475 479 480 478 475 479 480
482 481 485 486 483 481 485 486
484 481 485 486 488 487 491 492
489 487 491 492 490 487 491 492
494 493 497 498 495 493 497 498
496 493 497 498 500 499 503 504
501 499 503 504 502 499 503 504
506 505 509 510 507 505 509 510
508 505 509 510 512 511 515 516
513 511 515 516 514 511 515 516
518 517 521 522 519 517 521 522
520 517 521 522 524 523 527 528
525 523 527 528 526 523 527 528
530 529 533 534 531 529 533 534
532 529 533 534 536 535 539 540
537 535 539 540 538 535 539 540
542 541 545 546 543 541 545 546
544 541 545 546 548 547 551 552
549 547 551 552 550 547 551 552
554 553 557 558 555 553 557 558
556 553 557 558 560 559 563 564
561 559 563 564 562 559 563 564
566 565 569 570 567 565 569 570
568 565 569 570 572 571 575 576
573 571 575 576 574 571 575 576
578 577 581 582 579 577 581 582
580 577 581 582 584 583 587 588
585 583 587 588 586 583 587 588
590 589 593 594 591 589 593 594
592 589 593 594 596 595 599 600
597 595 599 600 598 595 599 600
602 601 605 606 603 601 605 606
604 601 605 606 608 607 611 612
609 607 611 612 610 607 611 612
614 613 617 618 615 613 617 618
616 613 617 618 620 619 623 624
621 619 623 624 622 619 623 624
626 625 629 630 627 625 629 630
628 625 629 630 632 631 635 636
633 631 635 636 634 631 635 636
638 637 641 642 639 637 641 642
640 637 641 642 644 643 647 648
645 643 647 648 646 643 647 648
650 649 653 654 651 649 653 654
652 649 653 654 656 655 659 660
657 655 659 660 658 655 659 660
662 661 665 666 663 661 665 666
664 661 665 666 668 667 671 672
669 667 671 672 670 667 671 672
674 673 677 678 675 673 677 678
676 673 677 678 680 679 683 684
681 679 683 684 682 679 683 684
686 685 689 690 687 685 689 690
688 685 689 690 692 691 695 696
693 691 695 696 694 691 695 696
698 697 701 702 699 697 701 702
700 697 701 702 704 703 707 708
705 703 707 708 706 703 707 708
710 709 713 714 711 709 713 714
712 709 713 714 716 715 719 720
717 715 719 720 718 715 719 720
722 721 725 726 723 721 725 726
724 721 725 726 728 727 731 732
729 727 731 732 730 727 731 732
734 733 737 738 735 733 737 738
736 733 737 738 740 739 743 744
741 739 743 744 742 739 743 744
746 745 749 750 747 745 749 750
748 745 749 750 752 751 755 756
753 751 755 756 754 751 755 756
758 757 761 762 759 757 761 762
760 757 761 762 764 763 767 768
765 763 767 768 766 763 767 768
770 769 773 774 771 769 773 774
772 769 773 774 776 775 779 780
777 775 779 780 778 775 779 780
782 781 785 786 783 781 785 786
784 781 785 786 788 787 791 792
789 787 791 792 790 787 791 792
794 793 797 798 795 793 797 798
796 793 797 798 800 799 803 804
801 799 803 804 802 799 803 804
806 805 809 810 807 805 809 810
808 805 809 810 812 811 815 816
813 811 815 816 814 811 815 816
818 817 821 822 819 817 821 822
820 817 821 822 824 823 827 828
825 823 827 828 826 823 827 828
830 829 833 834 831 829 833 834
832 829 833 834 836 835 839 840
837 835 839 840 838 835 839 840
842 841 845 846 843 841 845 846
844 841 845 846 848 847 851 852
849 847 851 852 850 847 851 852
854 853 857 858 855 853 857 858
856 853 857 858 860 859 863 864
861 859 863 864 862 859 863 864
866 865 869 870 867 865 869 870
868 865 869 870 872 871 875 876
873 871 875 876 874 871 875 876
878 877 881 882 879 877 881 882
880 877 881 882 884 883 887 888
885 883 887 888 886 883 887 888
890 889 893 894 891 889 893 894
892 889 893 894 896 895 899 900
897 895 899 900 898 895 899 900
902 901 905 906 903 901 905 906
904 901 905 906 908 907 911 912
909 907 911 912 910 907 911 912
914 913 917 918 915 913 917 918
916 913 917 918 920 919 923 924
921 919 923 924 922 919 923 924
926 925 929 930 927 925 929 930
928 925 929 930 932 931 935 936
933 931 935 936 934 931 935 936
938 937 941 942 939 937 941 942
940 937 941 942 944 943 947 948
945 943 947 948 946 943 947 948
950 949 953 954 951 949 953 954
952 949 953 954 956 955 959 960
957 955 959 960 958 955 959 960
962 961 965 966 963 961 965 966
964 961 965 966 968 967 971 972
969 967 971 972 970 967 971 972
974 973 977 978 975 973 977 978
976 973 977 978 980 979 983 984
981 979 983 984 982 979 983 984
986 985 989 990 987 985 989 990
988 985 989 990 992 991 995 996
993 991 995 996 994 991 995 996
998 997 1001 1002 999 997 1001 1002
1000 997 1001 1002 1004 1003 1007 1008
1005 1003 1007 1008 1006 1003 1007 1008
1010 1009 1013 1014 1011 1009 1013 1014
1012 1009 1013 1014 1016 1015 1019 1020
1017 1015 1019 1020 1018 1015 1019 1020
1022 1021 1025 1026 1023 1021 1025 1026
1024 1021 1025 1026 1028 1027 1031 1032
1029 1027 1031 1032 1030 1027 1031 1032
1034 1033 1037 1038 1035 1033 1037 1038
1036 1033 1037 1038 1040 1039 1043 1044
1041 1039 1043 1044 1042 1039 1043 1044
1046 1045 1049 1050 1047 1045 1049 1050
1048 1045 1049 1050 1052 1051 1055 1056
1053 1051 1055 1056 1054 1051 1055 1056
1058 1057 1061 1062 1059 1057 1061 1062
1060 1057 1061 1062 1064 1063 1067 1068
1065 1063 1067 1068 1066 1063 1067 1068
1070 1069 1073 1074 1071 1069 1073 1074
1072 1069 1073 1074 1076 1075 1079 1080
1077 1075 1079 1080 1078 1075 1079 1080
1082 1081 1085 1086 1083 1081 1085 1086
1084 1081 1085 1086 1088 1087 1091 1092
1089 1087 1091 1092 1090 1087 1091 1092
1094 1093 1097 1098 1095 1093 1097 1098
1096 1093 1097 1098 1100 1099 1103 1104
1101 1099 1103 1104 1102 1099 1103 1104
1106 1105 1109 1110 1107 1105 1109 1110
1108 1105 1109 1110 1112 1111 1115 1116
1113 1111 1115 1116 1114 1111 1115 1116
1118 1117 1121 1122 1119 1117 1121 1122
1120 1117 1121 1122 1124 1123 1127 1128
1125 1123 1127 1128 1126 1123 1127 1128
1130 1129 1133 1134 1131 1129 1133 1134
1132 1129 1133 1134 1136 1135 1139 1140
1137 1135 1139 1140 1138 1135 1139 1140
1142 1141 1145 1146 1143 1141 1145 1146
1144 1141 1145 1146 1148 1147 1151 1152
1149 1147 1151 1152 1150 1147 1151 1152
1154 1153 1157 1158 1155 1153 1157 1158
1156 1153 1157 1158 1160 1159 1163 1164
1161 1159 1163 1164 1162 1159 1163 1164
1166 1165 1169 1170 1167 1165 1169 1170
1168 1165 1169 1170 1172 1171 1175 1176
1173 1171 1175 1176 1174 1171 1175 1176
1178 1177 1181 1182 1179 1177 1181 1182
1180 1177 1181 1182 1184 1183 1187 1188
1185 1183 1187 1188 1186 1183 1187 1188
1190 1189 1193 1194 1191 1189 1193 1194
1192 1189 1193 1194 1196 1195 1199 1200
1197 1195 1199 1200 1198 1195 1199 1200
1202 1201 1205 1206 1203 1201 1205 1206
1204 1201 1205 1206 1208 1207 1211 1212
1209 1207 1211 1212 1210 1207 1211 1212
1214 1213 1217 1218 1215 1213 1217 1218
1216 1213 1217 1218 1220 1219 1223 1224
1221 1219 1223 1224 1222 1219 1223 1224
1226 1225 1229 1230 1227 1225 1229 1230
1228 1225 1229 1230 1232 1231 1235 1236
1233 1231 1235 1236 1234 1231 1235 1236
1238 1237 1241 1242 1239 1237 1241 1242
1240 1237 1241 1242 1244 1243 1247 1248
1245 1243 1247 1248 1246 1243 1247 1248
1250 1249 1253 1254 1251 1249 1253 1254
1252 1249 1253 1254 1256 1255 1259 1260
1257 1255 1259 1260 1258 1255 1259 1260
1262 1261 1265 1266 1263 1261 1265 1266
1264 1261 1265 1266 1268 1267 1271 1272
1269 1267 1271 1272 1270 1267 1271 1272
1274 1273 1277 1278 1275 1273 1277 1278
1276 1273 1277 1278 1280 1279 1283 1284
1281 1279 1283 1284 1282 1279 1283 1284
1286 1285 1289 1290 1287 1285 1289 1290
1288 1285 1289 1290
0 !NIMPHI: impropers
0 !NDON: donors
0 !NACC: acceptors
0 !NNB
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0 0 0 0 0 0
0 0 0
1 0 !NGRP
0 0 0
CRYST1 24.224 24.224 24.224 90.00 90.00 90.00 P 1 1
ATOM 1 C MOH T 1 6.457 7.662 -5.816 1.00 0.00 T
ATOM 2 HA MOH T 1 6.888 6.932 -6.534 1.00 0.00 T
ATOM 3 HB MOH T 1 6.536 8.640 -6.337 1.00 0.00 T
ATOM 4 HC MOH T 1 7.121 7.708 -4.927 1.00 0.00 T
ATOM 5 O MOH T 1 5.057 7.417 -5.368 1.00 0.00 T
ATOM 6 H MOH T 1 4.804 6.634 -5.863 1.00 0.00 T
ATOM 7 C MOH T 2 -8.037 1.779 5.762 1.00 0.00 T
ATOM 8 HA MOH T 2 -9.011 2.082 5.320 1.00 0.00 T
ATOM 9 HB MOH T 2 -7.306 2.108 4.993 1.00 0.00 T
ATOM 10 HC MOH T 2 -7.973 0.710 6.058 1.00 0.00 T
ATOM 11 O MOH T 2 -7.783 2.470 7.002 1.00 0.00 T
ATOM 12 H MOH T 2 -6.864 2.260 7.183 1.00 0.00 T
ATOM 13 C MOH T 3 -1.479 8.495 -8.417 1.00 0.00 T
ATOM 14 HA MOH T 3 -2.009 8.394 -9.388 1.00 0.00 T
ATOM 15 HB MOH T 3 -1.915 9.269 -7.749 1.00 0.00 T
ATOM 16 HC MOH T 3 -0.469 8.680 -8.840 1.00 0.00 T
ATOM 17 O MOH T 3 -1.438 7.303 -7.617 1.00 0.00 T
ATOM 18 H MOH T 3 -2.267 6.919 -7.914 1.00 0.00 T
ATOM 19 C MOH T 4 -5.299 1.948 -4.157 1.00 0.00 T
ATOM 20 HA MOH T 4 -4.564 2.716 -3.835 1.00 0.00 T
ATOM 21 HB MOH T 4 -6.027 2.395 -4.867 1.00 0.00 T
ATOM 22 HC MOH T 4 -5.916 1.692 -3.269 1.00 0.00 T
ATOM 23 O MOH T 4 -4.713 0.824 -4.799 1.00 0.00 T
ATOM 24 H MOH T 4 -4.002 1.203 -5.322 1.00 0.00 T
ATOM 25 C MOH T 5 6.222 0.822 8.864 1.00 0.00 T
ATOM 26 HA MOH T 5 6.713 1.457 9.632 1.00 0.00 T
ATOM 27 HB MOH T 5 6.963 0.154 8.376 1.00 0.00 T
ATOM 28 HC MOH T 5 5.842 1.536 8.102 1.00 0.00 T
ATOM 29 O MOH T 5 5.226 -0.064 9.342 1.00 0.00 T
ATOM 30 H MOH T 5 5.143 -0.655 8.590 1.00 0.00 T
ATOM 31 C MOH T 6 -8.643 0.337 1.180 1.00 0.00 T
ATOM 32 HA MOH T 6 -8.725 1.411 1.450 1.00 0.00 T
ATOM 33 HB MOH T 6 -7.739 0.295 0.537 1.00 0.00 T
ATOM 34 HC MOH T 6 -9.612 0.048 0.719 1.00 0.00 T
ATOM 35 O MOH T 6 -8.415 -0.374 2.332 1.00 0.00 T
ATOM 36 H MOH T 6 -9.179 -0.947 2.431 1.00 0.00 T
ATOM 37 C MOH T 7 -9.419 -8.904 0.273 1.00 0.00 T
ATOM 38 HA MOH T 7 -10.426 -9.066 -0.166 1.00 0.00 T
ATOM 39 HB MOH T 7 -8.733 -8.713 -0.580 1.00 0.00 T
ATOM 40 HC MOH T 7 -9.204 -9.884 0.752 1.00 0.00 T
ATOM 41 O MOH T 7 -9.407 -7.877 1.203 1.00 0.00 T
ATOM 42 H MOH T 7 -9.786 -7.195 0.644 1.00 0.00 T
ATOM 43 C MOH T 8 9.088 2.913 -0.652 1.00 0.00 T
ATOM 44 HA MOH T 8 10.141 3.190 -0.429 1.00 0.00 T
ATOM 45 HB MOH T 8 8.590 2.779 0.331 1.00 0.00 T
ATOM 46 HC MOH T 8 9.047 1.955 -1.214 1.00 0.00 T
ATOM 47 O MOH T 8 8.359 3.889 -1.339 1.00 0.00 T
ATOM 48 H MOH T 8 8.578 4.663 -0.816 1.00 0.00 T
ATOM 49 C MOH T 9 -11.405 -6.809 3.627 1.00 0.00 T
ATOM 50 HA MOH T 9 -10.748 -6.772 4.522 1.00 0.00 T
ATOM 51 HB MOH T 9 -11.039 -7.686 3.050 1.00 0.00 T
ATOM 52 HC MOH T 9 -11.211 -5.893 3.029 1.00 0.00 T
ATOM 53 O MOH T 9 -12.764 -6.995 4.049 1.00 0.00 T
ATOM 54 H MOH T 9 -13.016 -7.625 3.371 1.00 0.00 T
ATOM 55 C MOH T 10 -4.308 -5.748 -11.854 1.00 0.00 T
ATOM 56 HA MOH T 10 -4.631 -6.393 -11.009 1.00 0.00 T
ATOM 57 HB MOH T 10 -5.044 -4.936 -12.032 1.00 0.00 T
ATOM 58 HC MOH T 10 -4.122 -6.368 -12.757 1.00 0.00 T
ATOM 59 O MOH T 10 -3.031 -5.198 -11.545 1.00 0.00 T
ATOM 60 H MOH T 10 -3.340 -4.744 -10.758 1.00 0.00 T
ATOM 61 C MOH T 11 0.325 3.996 9.251 1.00 0.00 T
ATOM 62 HA MOH T 11 1.057 4.269 8.461 1.00 0.00 T
ATOM 63 HB MOH T 11 0.629 3.986 10.319 1.00 0.00 T
ATOM 64 HC MOH T 11 -0.314 3.094 9.139 1.00 0.00 T
ATOM 65 O MOH T 11 -0.505 5.106 8.997 1.00 0.00 T
ATOM 66 H MOH T 11 -0.107 5.882 9.397 1.00 0.00 T
ATOM 67 C MOH T 12 6.804 10.649 3.025 1.00 0.00 T
ATOM 68 HA MOH T 12 7.238 9.802 3.598 1.00 0.00 T
ATOM 69 HB MOH T 12 5.895 11.040 3.529 1.00 0.00 T
ATOM 70 HC MOH T 12 6.636 10.304 1.982 1.00 0.00 T
ATOM 71 O MOH T 12 7.741 11.749 2.921 1.00 0.00 T
ATOM 72 H MOH T 12 8.599 11.323 2.969 1.00 0.00 T
ATOM 73 C MOH T 13 6.487 1.307 -4.159 1.00 0.00 T
ATOM 74 HA MOH T 13 7.298 0.927 -3.501 1.00 0.00 T
ATOM 75 HB MOH T 13 6.566 2.415 -4.143 1.00 0.00 T
ATOM 76 HC MOH T 13 5.479 0.981 -3.827 1.00 0.00 T
ATOM 77 O MOH T 13 6.885 0.830 -5.441 1.00 0.00 T
ATOM 78 H MOH T 13 6.768 -0.110 -5.283 1.00 0.00 T
ATOM 79 C MOH T 14 -4.981 -5.708 -6.523 1.00 0.00 T
ATOM 80 HA MOH T 14 -5.606 -4.820 -6.758 1.00 0.00 T
ATOM 81 HB MOH T 14 -5.461 -6.443 -7.204 1.00 0.00 T
ATOM 82 HC MOH T 14 -4.913 -5.955 -5.442 1.00 0.00 T
ATOM 83 O MOH T 14 -3.628 -5.573 -6.992 1.00 0.00 T
ATOM 84 H MOH T 14 -3.802 -5.390 -7.919 1.00 0.00 T
ATOM 85 C MOH T 15 5.662 2.859 2.409 1.00 0.00 T
ATOM 86 HA MOH T 15 6.372 3.428 3.046 1.00 0.00 T
ATOM 87 HB MOH T 15 6.035 1.832 2.206 1.00 0.00 T
ATOM 88 HC MOH T 15 5.755 3.447 1.471 1.00 0.00 T
ATOM 89 O MOH T 15 4.352 2.857 2.824 1.00 0.00 T
ATOM 90 H MOH T 15 4.382 2.970 3.777 1.00 0.00 T
ATOM 91 C MOH T 16 9.645 4.247 8.020 1.00 0.00 T
ATOM 92 HA MOH T 16 10.187 5.021 7.435 1.00 0.00 T
ATOM 93 HB MOH T 16 9.608 4.526 9.095 1.00 0.00 T
ATOM 94 HC MOH T 16 10.145 3.256 8.073 1.00 0.00 T
ATOM 95 O MOH T 16 8.292 3.923 7.542 1.00 0.00 T
ATOM 96 H MOH T 16 7.769 4.551 8.046 1.00 0.00 T
ATOM 97 C MOH T 17 8.337 -4.362 -9.324 1.00 0.00 T
ATOM 98 HA MOH T 17 8.210 -5.434 -9.059 1.00 0.00 T
ATOM 99 HB MOH T 17 7.771 -3.764 -8.578 1.00 0.00 T
ATOM 100 HC MOH T 17 7.996 -4.289 -10.379 1.00 0.00 T
ATOM 101 O MOH T 17 9.727 -3.902 -9.213 1.00 0.00 T
ATOM 102 H MOH T 17 10.240 -4.698 -9.371 1.00 0.00 T
ATOM 103 C MOH T 18 -7.458 -0.204 -7.218 1.00 0.00 T
ATOM 104 HA MOH T 18 -7.009 0.798 -7.388 1.00 0.00 T
ATOM 105 HB MOH T 18 -7.622 -0.213 -6.120 1.00 0.00 T
ATOM 106 HC MOH T 18 -6.820 -1.080 -7.463 1.00 0.00 T
ATOM 107 O MOH T 18 -8.700 -0.136 -7.866 1.00 0.00 T
ATOM 108 H MOH T 18 -8.858 0.807 -7.945 1.00 0.00 T
ATOM 109 C MOH T 19 8.994 -7.942 -8.123 1.00 0.00 T
ATOM 110 HA MOH T 19 8.169 -7.579 -8.774 1.00 0.00 T
ATOM 111 HB MOH T 19 9.960 -7.528 -8.483 1.00 0.00 T
ATOM 112 HC MOH T 19 8.968 -9.047 -8.237 1.00 0.00 T
ATOM 113 O MOH T 19 8.755 -7.580 -6.777 1.00 0.00 T
ATOM 114 H MOH T 19 8.160 -6.847 -6.954 1.00 0.00 T
ATOM 115 C MOH T 20 -3.687 8.199 -11.804 1.00 0.00 T
ATOM 116 HA MOH T 20 -3.788 9.293 -11.970 1.00 0.00 T
ATOM 117 HB MOH T 20 -4.182 7.942 -10.843 1.00 0.00 T
ATOM 118 HC MOH T 20 -2.613 7.949 -11.670 1.00 0.00 T
ATOM 119 O MOH T 20 -4.078 7.406 -12.854 1.00 0.00 T
ATOM 120 H MOH T 20 -5.006 7.191 -12.738 1.00 0.00 T
ATOM 121 C MOH T 21 -6.783 -11.167 7.532 1.00 0.00 T
ATOM 122 HA MOH T 21 -7.666 -10.524 7.328 1.00 0.00 T
ATOM 123 HB MOH T 21 -5.925 -10.611 7.967 1.00 0.00 T
ATOM 124 HC MOH T 21 -6.382 -11.438 6.532 1.00 0.00 T
ATOM 125 O MOH T 21 -7.142 -12.392 8.192 1.00 0.00 T
ATOM 126 H MOH T 21 -6.399 -12.956 7.963 1.00 0.00 T
ATOM 127 C MOH T 22 -8.885 -10.229 3.715 1.00 0.00 T
ATOM 128 HA MOH T 22 -9.508 -10.462 2.826 1.00 0.00 T
ATOM 129 HB MOH T 22 -8.186 -11.048 3.990 1.00 0.00 T
ATOM 130 HC MOH T 22 -9.429 -10.132 4.679 1.00 0.00 T
ATOM 131 O MOH T 22 -8.313 -9.012 3.527 1.00 0.00 T
ATOM 132 H MOH T 22 -8.895 -8.669 2.845 1.00 0.00 T
ATOM 133 C MOH T 23 5.239 -9.838 -9.320 1.00 0.00 T
ATOM 134 HA MOH T 23 4.211 -10.250 -9.414 1.00 0.00 T
ATOM 135 HB MOH T 23 5.952 -10.610 -8.959 1.00 0.00 T
ATOM 136 HC MOH T 23 5.111 -9.139 -8.467 1.00 0.00 T
ATOM 137 O MOH T 23 5.693 -9.212 -10.531 1.00 0.00 T
ATOM 138 H MOH T 23 4.951 -8.607 -10.595 1.00 0.00 T
ATOM 139 C MOH T 24 -2.692 -11.422 6.288 1.00 0.00 T
ATOM 140 HA MOH T 24 -3.746 -11.133 6.086 1.00 0.00 T
ATOM 141 HB MOH T 24 -2.536 -12.461 5.929 1.00 0.00 T
ATOM 142 HC MOH T 24 -2.435 -11.184 7.342 1.00 0.00 T
ATOM 143 O MOH T 24 -1.815 -10.673 5.513 1.00 0.00 T
ATOM 144 H MOH T 24 -0.979 -11.023 5.828 1.00 0.00 T
ATOM 145 C MOH T 25 -2.653 8.299 1.218 1.00 0.00 T
ATOM 146 HA MOH T 25 -1.837 9.005 0.953 1.00 0.00 T
ATOM 147 HB MOH T 25 -2.212 7.284 1.124 1.00 0.00 T
ATOM 148 HC MOH T 25 -3.552 8.497 0.595 1.00 0.00 T
ATOM 149 O MOH T 25 -2.911 8.359 2.661 1.00 0.00 T
ATOM 150 H MOH T 25 -2.088 8.673 3.041 1.00 0.00 T
ATOM 151 C MOH T 26 -2.367 -4.815 0.592 1.00 0.00 T
ATOM 152 HA MOH T 26 -1.735 -5.537 1.151 1.00 0.00 T
ATOM 153 HB MOH T 26 -2.204 -3.763 0.912 1.00 0.00 T
ATOM 154 HC MOH T 26 -3.442 -5.089 0.642 1.00 0.00 T
ATOM 155 O MOH T 26 -2.003 -5.058 -0.775 1.00 0.00 T
ATOM 156 H MOH T 26 -1.942 -6.016 -0.800 1.00 0.00 T
ATOM 157 C MOH T 27 5.890 6.047 5.144 1.00 0.00 T
ATOM 158 HA MOH T 27 6.241 5.995 6.197 1.00 0.00 T
ATOM 159 HB MOH T 27 4.908 5.542 5.019 1.00 0.00 T
ATOM 160 HC MOH T 27 6.662 5.509 4.554 1.00 0.00 T
ATOM 161 O MOH T 27 5.788 7.452 4.756 1.00 0.00 T
ATOM 162 H MOH T 27 5.999 7.407 3.821 1.00 0.00 T
ATOM 163 C MOH T 28 2.442 0.925 11.385 1.00 0.00 T
ATOM 164 HA MOH T 28 1.949 -0.064 11.266 1.00 0.00 T
ATOM 165 HB MOH T 28 3.478 0.875 11.782 1.00 0.00 T
ATOM 166 HC MOH T 28 1.836 1.446 12.157 1.00 0.00 T
ATOM 167 O MOH T 28 2.531 1.505 10.076 1.00 0.00 T
ATOM 168 H MOH T 28 3.155 0.883 9.695 1.00 0.00 T
ATOM 169 C MOH T 29 0.121 10.416 4.528 1.00 0.00 T
ATOM 170 HA MOH T 29 -0.188 10.302 5.589 1.00 0.00 T
ATOM 171 HB MOH T 29 1.207 10.293 4.329 1.00 0.00 T
ATOM 172 HC MOH T 29 0.035 11.494 4.273 1.00 0.00 T
ATOM 173 O MOH T 29 -0.657 9.454 3.776 1.00 0.00 T
ATOM 174 H MOH T 29 -0.071 8.739 3.518 1.00 0.00 T
ATOM 175 C MOH T 30 -7.188 10.920 0.950 1.00 0.00 T
ATOM 176 HA MOH T 30 -6.274 11.486 0.670 1.00 0.00 T
ATOM 177 HB MOH T 30 -7.241 9.839 0.695 1.00 0.00 T
ATOM 178 HC MOH T 30 -8.090 11.397 0.511 1.00 0.00 T
ATOM 179 O MOH T 30 -7.408 11.091 2.319 1.00 0.00 T
ATOM 180 H MOH T 30 -6.713 10.519 2.654 1.00 0.00 T
ATOM 181 C MOH T 31 10.634 -8.106 -3.891 1.00 0.00 T
ATOM 182 HA MOH T 31 10.689 -9.117 -4.348 1.00 0.00 T
ATOM 183 HB MOH T 31 11.388 -7.805 -3.133 1.00 0.00 T
ATOM 184 HC MOH T 31 9.625 -7.999 -3.440 1.00 0.00 T
ATOM 185 O MOH T 31 10.713 -7.139 -4.954 1.00 0.00 T
ATOM 186 H MOH T 31 9.911 -7.344 -5.439 1.00 0.00 T
ATOM 187 C MOH T 32 -11.467 1.211 5.528 1.00 0.00 T
ATOM 188 HA MOH T 32 -11.033 2.092 5.010 1.00 0.00 T
ATOM 189 HB MOH T 32 -10.646 0.477 5.676 1.00 0.00 T
ATOM 190 HC MOH T 32 -12.165 0.691 4.838 1.00 0.00 T
ATOM 191 O MOH T 32 -12.021 1.559 6.824 1.00 0.00 T
ATOM 192 H MOH T 32 -11.310 1.952 7.335 1.00 0.00 T
ATOM 193 C MOH T 33 -11.636 4.661 -2.104 1.00 0.00 T
ATOM 194 HA MOH T 33 -11.657 4.401 -3.184 1.00 0.00 T
ATOM 195 HB MOH T 33 -12.592 4.297 -1.670 1.00 0.00 T
ATOM 196 HC MOH T 33 -11.716 5.759 -1.956 1.00 0.00 T
ATOM 197 O MOH T 33 -10.492 4.031 -1.644 1.00 0.00 T
ATOM 198 H MOH T 33 -10.421 3.399 -2.363 1.00 0.00 T
ATOM 199 C MOH T 34 -11.394 8.651 -2.749 1.00 0.00 T
ATOM 200 HA MOH T 34 -10.287 8.626 -2.660 1.00 0.00 T
ATOM 201 HB MOH T 34 -11.728 9.700 -2.595 1.00 0.00 T
ATOM 202 HC MOH T 34 -11.791 8.083 -1.881 1.00 0.00 T
ATOM 203 O MOH T 34 -11.905 8.078 -3.909 1.00 0.00 T
ATOM 204 H MOH T 34 -12.825 8.244 -3.689 1.00 0.00 T
ATOM 205 C MOH T 35 -1.575 -8.640 -1.579 1.00 0.00 T
ATOM 206 HA MOH T 35 -1.387 -9.647 -1.150 1.00 0.00 T
ATOM 207 HB MOH T 35 -2.610 -8.596 -1.980 1.00 0.00 T
ATOM 208 HC MOH T 35 -0.753 -8.485 -2.311 1.00 0.00 T
ATOM 209 O MOH T 35 -1.461 -7.741 -0.472 1.00 0.00 T
ATOM 210 H MOH T 35 -0.765 -8.206 -0.002 1.00 0.00 T
ATOM 211 C MOH T 36 10.835 9.086 7.341 1.00 0.00 T
ATOM 212 HA MOH T 36 11.628 8.667 6.686 1.00 0.00 T
ATOM 213 HB MOH T 36 9.859 8.843 6.869 1.00 0.00 T
ATOM 214 HC MOH T 36 11.040 10.175 7.419 1.00 0.00 T
ATOM 215 O MOH T 36 10.825 8.552 8.634 1.00 0.00 T
ATOM 216 H MOH T 36 10.039 8.905 9.057 1.00 0.00 T
ATOM 217 C MOH T 37 5.110 -7.377 3.191 1.00 0.00 T
ATOM 218 HA MOH T 37 5.105 -6.915 2.181 1.00 0.00 T
ATOM 219 HB MOH T 37 5.641 -8.353 3.166 1.00 0.00 T
ATOM 220 HC MOH T 37 4.059 -7.422 3.550 1.00 0.00 T
ATOM 221 O MOH T 37 5.788 -6.627 4.122 1.00 0.00 T
ATOM 222 H MOH T 37 5.035 -6.469 4.697 1.00 0.00 T
ATOM 223 C MOH T 38 11.006 -2.967 -5.653 1.00 0.00 T
ATOM 224 HA MOH T 38 10.188 -3.301 -6.326 1.00 0.00 T
ATOM 225 HB MOH T 38 11.936 -3.515 -5.916 1.00 0.00 T
ATOM 226 HC MOH T 38 10.695 -3.133 -4.600 1.00 0.00 T
ATOM 227 O MOH T 38 11.089 -1.603 -5.845 1.00 0.00 T
ATOM 228 H MOH T 38 10.866 -1.471 -6.769 1.00 0.00 T
ATOM 229 C MOH T 39 -2.264 2.734 -7.154 1.00 0.00 T
ATOM 230 HA MOH T 39 -2.786 2.323 -8.044 1.00 0.00 T
ATOM 231 HB MOH T 39 -2.699 3.745 -7.005 1.00 0.00 T
ATOM 232 HC MOH T 39 -1.169 2.721 -7.342 1.00 0.00 T
ATOM 233 O MOH T 39 -2.558 1.915 -6.019 1.00 0.00 T
ATOM 234 H MOH T 39 -1.940 1.182 -5.988 1.00 0.00 T
ATOM 235 C MOH T 40 -10.688 -7.030 -6.969 1.00 0.00 T
ATOM 236 HA MOH T 40 -11.227 -7.563 -7.782 1.00 0.00 T
ATOM 237 HB MOH T 40 -11.025 -5.975 -7.049 1.00 0.00 T
ATOM 238 HC MOH T 40 -9.609 -7.108 -7.224 1.00 0.00 T
ATOM 239 O MOH T 40 -10.890 -7.686 -5.779 1.00 0.00 T
ATOM 240 H MOH T 40 -11.673 -7.269 -5.413 1.00 0.00 T
ATOM 241 C MOH T 41 -7.830 4.004 3.062 1.00 0.00 T
ATOM 242 HA MOH T 41 -8.748 4.124 3.677 1.00 0.00 T
ATOM 243 HB MOH T 41 -7.959 3.035 2.534 1.00 0.00 T
ATOM 244 HC MOH T 41 -6.888 4.021 3.650 1.00 0.00 T
ATOM 245 O MOH T 41 -7.893 5.016 2.074 1.00 0.00 T
ATOM 246 H MOH T 41 -8.113 4.532 1.275 1.00 0.00 T
ATOM 247 C MOH T 42 -9.591 4.057 9.166 1.00 0.00 T
ATOM 248 HA MOH T 42 -8.715 4.659 8.843 1.00 0.00 T
ATOM 249 HB MOH T 42 -10.478 4.671 9.433 1.00 0.00 T
ATOM 250 HC MOH T 42 -9.192 3.580 10.086 1.00 0.00 T
ATOM 251 O MOH T 42 -9.942 3.027 8.254 1.00 0.00 T
ATOM 252 H MOH T 42 -9.181 2.889 7.685 1.00 0.00 T
ATOM 253 C MOH T 43 2.100 -2.952 2.232 1.00 0.00 T
ATOM 254 HA MOH T 43 1.868 -3.213 3.287 1.00 0.00 T
ATOM 255 HB MOH T 43 2.692 -2.013 2.275 1.00 0.00 T
ATOM 256 HC MOH T 43 1.097 -2.706 1.823 1.00 0.00 T
ATOM 257 O MOH T 43 2.679 -4.010 1.425 1.00 0.00 T
ATOM 258 H MOH T 43 2.257 -4.771 1.830 1.00 0.00 T
ATOM 259 C MOH T 44 3.413 2.699 6.489 1.00 0.00 T
ATOM 260 HA MOH T 44 3.692 1.630 6.600 1.00 0.00 T
ATOM 261 HB MOH T 44 3.743 3.188 7.430 1.00 0.00 T
ATOM 262 HC MOH T 44 2.321 2.716 6.281 1.00 0.00 T
ATOM 263 O MOH T 44 4.233 3.034 5.383 1.00 0.00 T
ATOM 264 H MOH T 44 5.150 2.904 5.635 1.00 0.00 T
ATOM 265 C MOH T 45 -3.590 -4.381 4.762 1.00 0.00 T
ATOM 266 HA MOH T 45 -4.572 -4.900 4.784 1.00 0.00 T
ATOM 267 HB MOH T 45 -3.638 -3.475 5.403 1.00 0.00 T
ATOM 268 HC MOH T 45 -3.355 -4.079 3.718 1.00 0.00 T
ATOM 269 O MOH T 45 -2.592 -5.254 5.208 1.00 0.00 T
ATOM 270 H MOH T 45 -3.011 -5.706 5.944 1.00 0.00 T
ATOM 271 C MOH T 46 8.635 11.880 -8.252 1.00 0.00 T
ATOM 272 HA MOH T 46 8.397 12.874 -8.685 1.00 0.00 T
ATOM 273 HB MOH T 46 9.692 11.680 -7.972 1.00 0.00 T
ATOM 274 HC MOH T 46 8.174 11.138 -8.938 1.00 0.00 T
ATOM 275 O MOH T 46 7.829 11.793 -7.038 1.00 0.00 T
ATOM 276 H MOH T 46 8.248 12.558 -6.637 1.00 0.00 T
ATOM 277 C MOH T 47 0.799 -6.322 3.405 1.00 0.00 T
ATOM 278 HA MOH T 47 1.445 -5.792 4.136 1.00 0.00 T
ATOM 279 HB MOH T 47 -0.100 -5.708 3.184 1.00 0.00 T
ATOM 280 HC MOH T 47 0.494 -7.338 3.736 1.00 0.00 T
ATOM 281 O MOH T 47 1.654 -6.424 2.220 1.00 0.00 T
ATOM 282 H MOH T 47 1.202 -7.134 1.758 1.00 0.00 T
ATOM 283 C MOH T 48 -10.859 -3.169 1.627 1.00 0.00 T
ATOM 284 HA MOH T 48 -10.613 -2.892 0.580 1.00 0.00 T
ATOM 285 HB MOH T 48 -10.368 -4.135 1.872 1.00 0.00 T
ATOM 286 HC MOH T 48 -11.963 -3.253 1.715 1.00 0.00 T
ATOM 287 O MOH T 48 -10.494 -2.187 2.535 1.00 0.00 T
ATOM 288 H MOH T 48 -11.339 -2.016 2.956 1.00 0.00 T
ATOM 289 C MOH T 49 -4.441 4.853 -9.000 1.00 0.00 T
ATOM 290 HA MOH T 49 -3.616 4.119 -9.127 1.00 0.00 T
ATOM 291 HB MOH T 49 -5.142 4.400 -8.267 1.00 0.00 T
ATOM 292 HC MOH T 49 -4.855 5.029 -10.015 1.00 0.00 T
ATOM 293 O MOH T 49 -3.807 6.028 -8.477 1.00 0.00 T
ATOM 294 H MOH T 49 -4.482 6.711 -8.492 1.00 0.00 T
ATOM 295 C MOH T 50 6.216 10.137 6.475 1.00 0.00 T
ATOM 296 HA MOH T 50 7.136 9.920 5.892 1.00 0.00 T
ATOM 297 HB MOH T 50 6.174 11.243 6.572 1.00 0.00 T
ATOM 298 HC MOH T 50 6.443 9.611 7.426 1.00 0.00 T
ATOM 299 O MOH T 50 4.989 9.665 5.836 1.00 0.00 T
ATOM 300 H MOH T 50 5.293 8.844 5.442 1.00 0.00 T
ATOM 301 C MOH T 51 8.095 -9.311 4.174 1.00 0.00 T
ATOM 302 HA MOH T 51 7.420 -8.469 4.440 1.00 0.00 T
ATOM 303 HB MOH T 51 9.112 -9.088 4.561 1.00 0.00 T
ATOM 304 HC MOH T 51 8.094 -9.349 3.064 1.00 0.00 T
ATOM 305 O MOH T 51 7.659 -10.497 4.805 1.00 0.00 T
ATOM 306 H MOH T 51 7.878 -11.148 4.135 1.00 0.00 T
ATOM 307 C MOH T 52 -3.458 -11.621 -10.388 1.00 0.00 T
ATOM 308 HA MOH T 52 -3.354 -11.905 -11.457 1.00 0.00 T
ATOM 309 HB MOH T 52 -4.368 -11.934 -9.833 1.00 0.00 T
ATOM 310 HC MOH T 52 -3.446 -10.513 -10.306 1.00 0.00 T
ATOM 311 O MOH T 52 -2.309 -12.209 -9.741 1.00 0.00 T
ATOM 312 H MOH T 52 -1.695 -11.964 -10.437 1.00 0.00 T
ATOM 313 C MOH T 53 8.336 -11.279 -0.430 1.00 0.00 T
ATOM 314 HA MOH T 53 7.796 -11.752 -1.278 1.00 0.00 T
ATOM 315 HB MOH T 53 9.345 -10.858 -0.627 1.00 0.00 T
ATOM 316 HC MOH T 53 8.508 -11.993 0.404 1.00 0.00 T
ATOM 317 O MOH T 53 7.658 -10.170 0.150 1.00 0.00 T
ATOM 318 H MOH T 53 6.742 -10.448 0.230 1.00 0.00 T
ATOM 319 C MOH T 54 -5.986 7.945 3.033 1.00 0.00 T
ATOM 320 HA MOH T 54 -7.078 7.901 3.233 1.00 0.00 T
ATOM 321 HB MOH T 54 -5.782 7.700 1.968 1.00 0.00 T
ATOM 322 HC MOH T 54 -5.490 7.183 3.671 1.00 0.00 T
ATOM 323 O MOH T 54 -5.410 9.217 3.291 1.00 0.00 T
ATOM 324 H MOH T 54 -4.502 9.047 3.030 1.00 0.00 T
ATOM 325 C MOH T 55 2.607 7.258 -9.425 1.00 0.00 T
ATOM 326 HA MOH T 55 1.653 7.574 -8.951 1.00 0.00 T
ATOM 327 HB MOH T 55 3.193 6.795 -8.601 1.00 0.00 T
ATOM 328 HC MOH T 55 3.188 8.170 -9.678 1.00 0.00 T
ATOM 329 O MOH T 55 2.540 6.257 -10.420 1.00 0.00 T
ATOM 330 H MOH T 55 1.889 5.615 -10.125 1.00 0.00 T
ATOM 331 C MOH T 56 7.417 -10.033 -4.605 1.00 0.00 T
ATOM 332 HA MOH T 56 7.440 -10.757 -3.764 1.00 0.00 T
ATOM 333 HB MOH T 56 7.276 -9.006 -4.205 1.00 0.00 T
ATOM 334 HC MOH T 56 6.454 -10.204 -5.133 1.00 0.00 T
ATOM 335 O MOH T 56 8.647 -10.198 -5.376 1.00 0.00 T
ATOM 336 H MOH T 56 8.762 -9.337 -5.786 1.00 0.00 T
ATOM 337 C MOH T 57 7.320 9.524 -1.267 1.00 0.00 T
ATOM 338 HA MOH T 57 6.389 9.468 -0.664 1.00 0.00 T
ATOM 339 HB MOH T 57 8.133 9.608 -0.515 1.00 0.00 T
ATOM 340 HC MOH T 57 7.328 10.472 -1.846 1.00 0.00 T
ATOM 341 O MOH T 57 7.565 8.452 -2.160 1.00 0.00 T
ATOM 342 H MOH T 57 6.635 8.254 -2.294 1.00 0.00 T
ATOM 343 C MOH T 58 3.333 -1.692 6.847 1.00 0.00 T
ATOM 344 HA MOH T 58 2.993 -1.046 6.009 1.00 0.00 T
ATOM 345 HB MOH T 58 3.038 -2.750 6.684 1.00 0.00 T
ATOM 346 HC MOH T 58 2.854 -1.217 7.729 1.00 0.00 T
ATOM 347 O MOH T 58 4.716 -1.487 7.062 1.00 0.00 T
ATOM 348 H MOH T 58 5.139 -1.518 6.200 1.00 0.00 T
ATOM 349 C MOH T 59 -6.220 -4.307 7.734 1.00 0.00 T
ATOM 350 HA MOH T 59 -5.792 -3.817 6.834 1.00 0.00 T
ATOM 351 HB MOH T 59 -6.887 -5.173 7.534 1.00 0.00 T
ATOM 352 HC MOH T 59 -6.878 -3.678 8.371 1.00 0.00 T
ATOM 353 O MOH T 59 -5.203 -4.606 8.617 1.00 0.00 T
ATOM 354 H MOH T 59 -4.718 -5.386 8.338 1.00 0.00 T
ATOM 355 C MOH T 60 10.201 6.662 0.303 1.00 0.00 T
ATOM 356 HA MOH T 60 10.927 6.569 1.140 1.00 0.00 T
ATOM 357 HB MOH T 60 10.596 6.379 -0.696 1.00 0.00 T
ATOM 358 HC MOH T 60 9.718 7.659 0.379 1.00 0.00 T
ATOM 359 O MOH T 60 9.287 5.579 0.707 1.00 0.00 T
ATOM 360 H MOH T 60 9.662 5.511 1.589 1.00 0.00 T
ATOM 361 C MOH T 61 -2.290 -5.994 -3.873 1.00 0.00 T
ATOM 362 HA MOH T 61 -1.441 -6.051 -3.159 1.00 0.00 T
ATOM 363 HB MOH T 61 -2.858 -5.067 -3.641 1.00 0.00 T
ATOM 364 HC MOH T 61 -2.978 -6.859 -3.987 1.00 0.00 T
ATOM 365 O MOH T 61 -1.675 -5.756 -5.103 1.00 0.00 T
ATOM 366 H MOH T 61 -2.394 -5.602 -5.721 1.00 0.00 T
ATOM 367 C MOH T 62 -1.878 0.793 -3.125 1.00 0.00 T
ATOM 368 HA MOH T 62 -2.858 1.306 -3.233 1.00 0.00 T
ATOM 369 HB MOH T 62 -1.079 1.526 -3.367 1.00 0.00 T
ATOM 370 HC MOH T 62 -1.912 -0.105 -3.778 1.00 0.00 T
ATOM 371 O MOH T 62 -1.863 0.482 -1.745 1.00 0.00 T
ATOM 372 H MOH T 62 -2.708 0.827 -1.448 1.00 0.00 T
ATOM 373 C MOH T 63 -0.265 11.487 -7.589 1.00 0.00 T
ATOM 374 HA MOH T 63 -0.018 11.426 -8.671 1.00 0.00 T
ATOM 375 HB MOH T 63 0.538 11.824 -6.899 1.00 0.00 T
ATOM 376 HC MOH T 63 -0.517 10.479 -7.196 1.00 0.00 T
ATOM 377 O MOH T 63 -1.409 12.316 -7.307 1.00 0.00 T
ATOM 378 H MOH T 63 -1.915 12.245 -8.119 1.00 0.00 T
ATOM 379 C MOH T 64 -6.540 -9.753 -3.043 1.00 0.00 T
ATOM 380 HA MOH T 64 -7.067 -9.103 -3.774 1.00 0.00 T
ATOM 381 HB MOH T 64 -6.533 -9.391 -1.993 1.00 0.00 T
ATOM 382 HC MOH T 64 -5.527 -9.754 -3.500 1.00 0.00 T
ATOM 383 O MOH T 64 -7.148 -11.087 -2.913 1.00 0.00 T
ATOM 384 H MOH T 64 -7.347 -11.349 -3.815 1.00 0.00 T
ATOM 385 C MOH T 65 5.713 -0.549 -8.458 1.00 0.00 T
ATOM 386 HA MOH T 65 5.732 -1.634 -8.219 1.00 0.00 T
ATOM 387 HB MOH T 65 6.718 -0.321 -8.873 1.00 0.00 T
ATOM 388 HC MOH T 65 5.625 0.068 -7.539 1.00 0.00 T
ATOM 389 O MOH T 65 4.741 -0.253 -9.379 1.00 0.00 T
ATOM 390 H MOH T 65 5.241 -0.108 -10.186 1.00 0.00 T
ATOM 391 C MOH T 66 -11.710 -11.379 -6.260 1.00 0.00 T
ATOM 392 HA MOH T 66 -12.409 -11.302 -7.121 1.00 0.00 T
ATOM 393 HB MOH T 66 -11.421 -12.447 -6.160 1.00 0.00 T
ATOM 394 HC MOH T 66 -12.173 -11.122 -5.284 1.00 0.00 T
ATOM 395 O MOH T 66 -10.650 -10.536 -6.444 1.00 0.00 T
ATOM 396 H MOH T 66 -10.922 -9.629 -6.282 1.00 0.00 T
ATOM 397 C MOH T 67 -0.144 -2.388 -2.231 1.00 0.00 T
ATOM 398 HA MOH T 67 0.195 -3.170 -2.944 1.00 0.00 T
ATOM 399 HB MOH T 67 -1.161 -2.088 -2.562 1.00 0.00 T
ATOM 400 HC MOH T 67 0.478 -1.485 -2.410 1.00 0.00 T
ATOM 401 O MOH T 67 -0.139 -2.741 -0.862 1.00 0.00 T
ATOM 402 H MOH T 67 -0.787 -3.447 -0.922 1.00 0.00 T
ATOM 403 C MOH T 68 0.911 -11.436 -2.978 1.00 0.00 T
ATOM 404 HA MOH T 68 1.616 -10.632 -2.676 1.00 0.00 T
ATOM 405 HB MOH T 68 1.228 -11.950 -3.910 1.00 0.00 T
ATOM 406 HC MOH T 68 -0.145 -11.094 -3.022 1.00 0.00 T
ATOM 407 O MOH T 68 0.967 -12.398 -1.903 1.00 0.00 T
ATOM 408 H MOH T 68 0.162 -12.234 -1.406 1.00 0.00 T
ATOM 409 C MOH T 69 2.897 11.697 -10.428 1.00 0.00 T
ATOM 410 HA MOH T 69 3.836 11.229 -10.794 1.00 0.00 T
ATOM 411 HB MOH T 69 2.846 12.797 -10.579 1.00 0.00 T
ATOM 412 HC MOH T 69 2.647 11.612 -9.349 1.00 0.00 T
ATOM 413 O MOH T 69 1.884 11.029 -11.169 1.00 0.00 T
ATOM 414 H MOH T 69 2.349 10.682 -11.934 1.00 0.00 T
ATOM 415 C MOH T 70 10.682 -2.060 4.822 1.00 0.00 T
ATOM 416 HA MOH T 70 10.828 -3.085 5.226 1.00 0.00 T
ATOM 417 HB MOH T 70 11.157 -1.514 5.665 1.00 0.00 T
ATOM 418 HC MOH T 70 9.635 -1.709 4.702 1.00 0.00 T
ATOM 419 O MOH T 70 11.310 -1.732 3.612 1.00 0.00 T
ATOM 420 H MOH T 70 10.583 -1.641 2.992 1.00 0.00 T
ATOM 421 C MOH T 71 -9.819 -0.344 9.541 1.00 0.00 T
ATOM 422 HA MOH T 71 -9.548 0.664 9.922 1.00 0.00 T
ATOM 423 HB MOH T 71 -8.879 -0.927 9.440 1.00 0.00 T
ATOM 424 HC MOH T 71 -10.319 -0.144 8.570 1.00 0.00 T
ATOM 425 O MOH T 71 -10.592 -0.932 10.556 1.00 0.00 T
ATOM 426 H MOH T 71 -10.165 -1.790 10.595 1.00 0.00 T
ATOM 427 C MOH T 72 -11.003 -4.346 7.452 1.00 0.00 T
ATOM 428 HA MOH T 72 -11.588 -3.460 7.781 1.00 0.00 T
ATOM 429 HB MOH T 72 -10.215 -4.065 6.721 1.00 0.00 T
ATOM 430 HC MOH T 72 -11.544 -5.148 6.906 1.00 0.00 T
ATOM 431 O MOH T 72 -10.194 -4.788 8.574 1.00 0.00 T
ATOM 432 H MOH T 72 -9.813 -5.618 8.279 1.00 0.00 T
ATOM 433 C MOH T 73 -3.645 -1.910 10.292 1.00 0.00 T
ATOM 434 HA MOH T 73 -2.808 -2.541 10.663 1.00 0.00 T
ATOM 435 HB MOH T 73 -3.445 -1.772 9.208 1.00 0.00 T
ATOM 436 HC MOH T 73 -3.531 -0.895 10.729 1.00 0.00 T
ATOM 437 O MOH T 73 -4.918 -2.423 10.620 1.00 0.00 T
ATOM 438 H MOH T 73 -4.937 -3.225 10.091 1.00 0.00 T
ATOM 439 C MOH T 74 -1.222 5.786 5.369 1.00 0.00 T
ATOM 440 HA MOH T 74 -1.725 5.648 4.388 1.00 0.00 T
ATOM 441 HB MOH T 74 -0.976 6.850 5.573 1.00 0.00 T
ATOM 442 HC MOH T 74 -0.266 5.220 5.356 1.00 0.00 T
ATOM 443 O MOH T 74 -2.000 5.167 6.428 1.00 0.00 T
ATOM 444 H MOH T 74 -1.346 5.101 7.127 1.00 0.00 T
ATOM 445 C MOH T 75 10.220 -0.665 -9.628 1.00 0.00 T
ATOM 446 HA MOH T 75 10.607 -1.162 -10.543 1.00 0.00 T
ATOM 447 HB MOH T 75 9.118 -0.575 -9.737 1.00 0.00 T
ATOM 448 HC MOH T 75 10.595 0.372 -9.496 1.00 0.00 T
ATOM 449 O MOH T 75 10.489 -1.487 -8.431 1.00 0.00 T
ATOM 450 H MOH T 75 10.256 -2.407 -8.575 1.00 0.00 T
ATOM 451 C MOH T 76 -7.470 7.127 -11.395 1.00 0.00 T
ATOM 452 HA MOH T 76 -7.032 8.009 -10.880 1.00 0.00 T
ATOM 453 HB MOH T 76 -8.410 7.544 -11.816 1.00 0.00 T
ATOM 454 HC MOH T 76 -7.527 6.235 -10.736 1.00 0.00 T
ATOM 455 O MOH T 76 -6.757 6.941 -12.593 1.00 0.00 T
ATOM 456 H MOH T 76 -7.293 7.192 -13.348 1.00 0.00 T
ATOM 457 C MOH T 77 -3.911 2.977 8.685 1.00 0.00 T
ATOM 458 HA MOH T 77 -3.129 2.414 8.131 1.00 0.00 T
ATOM 459 HB MOH T 77 -3.663 4.051 8.549 1.00 0.00 T
ATOM 460 HC MOH T 77 -3.804 2.922 9.789 1.00 0.00 T
ATOM 461 O MOH T 77 -5.122 2.706 8.023 1.00 0.00 T
ATOM 462 H MOH T 77 -5.048 3.425 7.391 1.00 0.00 T
ATOM 463 C MOH T 78 -9.702 7.519 1.870 1.00 0.00 T
ATOM 464 HA MOH T 78 -8.748 8.059 2.055 1.00 0.00 T
ATOM 465 HB MOH T 78 -9.649 6.811 1.015 1.00 0.00 T
ATOM 466 HC MOH T 78 -10.621 8.131 1.752 1.00 0.00 T
ATOM 467 O MOH T 78 -9.832 6.675 2.944 1.00 0.00 T
ATOM 468 H MOH T 78 -9.067 6.128 2.751 1.00 0.00 T
ATOM 469 C MOH T 79 9.618 9.417 -4.658 1.00 0.00 T
ATOM 470 HA MOH T 79 9.419 8.604 -5.388 1.00 0.00 T
ATOM 471 HB MOH T 79 8.698 10.028 -4.533 1.00 0.00 T
ATOM 472 HC MOH T 79 10.546 9.932 -4.987 1.00 0.00 T
ATOM 473 O MOH T 79 9.853 8.886 -3.381 1.00 0.00 T
ATOM 474 H MOH T 79 8.961 8.704 -3.077 1.00 0.00 T
ATOM 475 C MOH T 80 -6.626 -0.870 -11.463 1.00 0.00 T
ATOM 476 HA MOH T 80 -6.339 -0.387 -10.505 1.00 0.00 T
ATOM 477 HB MOH T 80 -7.733 -0.778 -11.475 1.00 0.00 T
ATOM 478 HC MOH T 80 -6.264 -1.909 -11.612 1.00 0.00 T
ATOM 479 O MOH T 80 -6.057 -0.068 -12.481 1.00 0.00 T
ATOM 480 H MOH T 80 -5.633 -0.796 -12.941 1.00 0.00 T
ATOM 481 C MOH T 81 -7.507 -11.297 -6.553 1.00 0.00 T
ATOM 482 HA MOH T 81 -7.128 -10.267 -6.726 1.00 0.00 T
ATOM 483 HB MOH T 81 -6.656 -12.010 -6.609 1.00 0.00 T
ATOM 484 HC MOH T 81 -8.166 -11.554 -7.410 1.00 0.00 T
ATOM 485 O MOH T 81 -8.162 -11.534 -5.306 1.00 0.00 T
ATOM 486 H MOH T 81 -9.082 -11.342 -5.501 1.00 0.00 T
ATOM 487 C MOH T 82 10.272 -10.010 -10.576 1.00 0.00 T
ATOM 488 HA MOH T 82 10.635 -10.538 -9.668 1.00 0.00 T
ATOM 489 HB MOH T 82 9.244 -9.599 -10.478 1.00 0.00 T
ATOM 490 HC MOH T 82 10.181 -10.647 -11.482 1.00 0.00 T
ATOM 491 O MOH T 82 11.126 -8.865 -10.890 1.00 0.00 T
ATOM 492 H MOH T 82 10.709 -8.637 -11.724 1.00 0.00 T
ATOM 493 C MOH T 83 0.783 3.970 -5.613 1.00 0.00 T
ATOM 494 HA MOH T 83 0.208 3.172 -5.097 1.00 0.00 T
ATOM 495 HB MOH T 83 0.361 4.992 -5.718 1.00 0.00 T
ATOM 496 HC MOH T 83 0.928 3.660 -6.670 1.00 0.00 T
ATOM 497 O MOH T 83 1.948 4.085 -4.826 1.00 0.00 T
ATOM 498 H MOH T 83 1.514 4.137 -3.972 1.00 0.00 T
ATOM 499 C MOH T 84 -0.528 3.469 2.468 1.00 0.00 T
ATOM 500 HA MOH T 84 -1.616 3.695 2.472 1.00 0.00 T
ATOM 501 HB MOH T 84 -0.289 3.026 1.477 1.00 0.00 T
ATOM 502 HC MOH T 84 -0.255 2.753 3.272 1.00 0.00 T
ATOM 503 O MOH T 84 0.355 4.630 2.630 1.00 0.00 T
ATOM 504 H MOH T 84 1.007 4.467 1.944 1.00 0.00 T
ATOM 505 C MOH T 85 -4.809 -7.732 6.406 1.00 0.00 T
ATOM 506 HA MOH T 85 -5.765 -7.916 6.940 1.00 0.00 T
ATOM 507 HB MOH T 85 -4.913 -7.222 5.425 1.00 0.00 T
ATOM 508 HC MOH T 85 -4.200 -8.630 6.169 1.00 0.00 T
ATOM 509 O MOH T 85 -4.046 -6.799 7.164 1.00 0.00 T
ATOM 510 H MOH T 85 -3.977 -7.305 7.977 1.00 0.00 T
ATOM 511 C MOH T 86 5.954 -10.920 10.885 1.00 0.00 T
ATOM 512 HA MOH T 86 6.422 -9.949 10.615 1.00 0.00 T
ATOM 513 HB MOH T 86 6.085 -11.706 10.112 1.00 0.00 T
ATOM 514 HC MOH T 86 4.900 -10.630 11.085 1.00 0.00 T
ATOM 515 O MOH T 86 6.606 -11.368 12.105 1.00 0.00 T
ATOM 516 H MOH T 86 6.318 -10.622 12.635 1.00 0.00 T
ATOM 517 C MOH T 87 1.448 -6.272 -1.764 1.00 0.00 T
ATOM 518 HA MOH T 87 1.753 -5.235 -2.024 1.00 0.00 T
ATOM 519 HB MOH T 87 0.340 -6.335 -1.818 1.00 0.00 T
ATOM 520 HC MOH T 87 1.786 -6.529 -0.737 1.00 0.00 T
ATOM 521 O MOH T 87 2.116 -7.101 -2.672 1.00 0.00 T
ATOM 522 H MOH T 87 1.837 -6.752 -3.522 1.00 0.00 T
ATOM 523 C MOH T 88 5.356 -1.849 3.482 1.00 0.00 T
ATOM 524 HA MOH T 88 4.456 -2.500 3.440 1.00 0.00 T
ATOM 525 HB MOH T 88 5.059 -0.792 3.315 1.00 0.00 T
ATOM 526 HC MOH T 88 6.045 -2.182 2.677 1.00 0.00 T
ATOM 527 O MOH T 88 5.930 -2.029 4.726 1.00 0.00 T
ATOM 528 H MOH T 88 6.476 -2.808 4.600 1.00 0.00 T
ATOM 529 C MOH T 89 -11.097 -6.308 -1.343 1.00 0.00 T
ATOM 530 HA MOH T 89 -11.121 -6.849 -2.313 1.00 0.00 T
ATOM 531 HB MOH T 89 -11.516 -6.895 -0.499 1.00 0.00 T
ATOM 532 HC MOH T 89 -11.667 -5.365 -1.488 1.00 0.00 T
ATOM 533 O MOH T 89 -9.782 -6.062 -0.946 1.00 0.00 T
ATOM 534 H MOH T 89 -9.490 -5.369 -1.542 1.00 0.00 T
ATOM 535 C MOH T 90 -10.776 0.879 -11.061 1.00 0.00 T
ATOM 536 HA MOH T 90 -10.013 0.071 -11.066 1.00 0.00 T
ATOM 537 HB MOH T 90 -10.415 1.857 -11.446 1.00 0.00 T
ATOM 538 HC MOH T 90 -11.131 1.059 -10.024 1.00 0.00 T
ATOM 539 O MOH T 90 -11.962 0.589 -11.805 1.00 0.00 T
ATOM 540 H MOH T 90 -11.567 0.082 -12.518 1.00 0.00 T
ATOM 541 C MOH T 91 -11.991 2.804 -6.955 1.00 0.00 T
ATOM 542 HA MOH T 91 -11.833 3.210 -5.933 1.00 0.00 T
ATOM 543 HB MOH T 91 -13.076 2.650 -7.137 1.00 0.00 T
ATOM 544 HC MOH T 91 -11.423 1.852 -7.023 1.00 0.00 T
ATOM 545 O MOH T 91 -11.380 3.677 -7.943 1.00 0.00 T
ATOM 546 H MOH T 91 -12.120 4.230 -8.205 1.00 0.00 T
ATOM 547 C MOH T 92 6.553 -5.170 10.961 1.00 0.00 T
ATOM 548 HA MOH T 92 7.287 -5.886 11.389 1.00 0.00 T
ATOM 549 HB MOH T 92 5.511 -5.553 10.921 1.00 0.00 T
ATOM 550 HC MOH T 92 6.825 -5.112 9.886 1.00 0.00 T
ATOM 551 O MOH T 92 6.612 -3.982 11.664 1.00 0.00 T
ATOM 552 H MOH T 92 7.515 -3.661 11.604 1.00 0.00 T
ATOM 553 C MOH T 93 -10.453 -10.898 -2.834 1.00 0.00 T
ATOM 554 HA MOH T 93 -11.394 -10.367 -2.575 1.00 0.00 T
ATOM 555 HB MOH T 93 -9.901 -10.352 -3.629 1.00 0.00 T
ATOM 556 HC MOH T 93 -10.648 -11.921 -3.220 1.00 0.00 T
ATOM 557 O MOH T 93 -9.584 -10.976 -1.725 1.00 0.00 T
ATOM 558 H MOH T 93 -8.700 -10.956 -2.099 1.00 0.00 T
ATOM 559 C MOH T 94 5.480 -6.754 -6.337 1.00 0.00 T
ATOM 560 HA MOH T 94 4.483 -6.288 -6.183 1.00 0.00 T
ATOM 561 HB MOH T 94 5.317 -7.753 -6.794 1.00 0.00 T
ATOM 562 HC MOH T 94 5.888 -6.827 -5.306 1.00 0.00 T
ATOM 563 O MOH T 94 6.297 -5.995 -7.162 1.00 0.00 T
ATOM 564 H MOH T 94 5.625 -5.533 -7.668 1.00 0.00 T
ATOM 565 C MOH T 95 2.959 -7.769 -12.168 1.00 0.00 T
ATOM 566 HA MOH T 95 3.661 -7.308 -12.896 1.00 0.00 T
ATOM 567 HB MOH T 95 2.468 -8.641 -12.651 1.00 0.00 T
ATOM 568 HC MOH T 95 2.045 -7.138 -12.142 1.00 0.00 T
ATOM 569 O MOH T 95 3.429 -8.059 -10.914 1.00 0.00 T
ATOM 570 H MOH T 95 2.619 -8.295 -10.456 1.00 0.00 T
ATOM 571 C MOH T 96 -2.484 7.794 8.215 1.00 0.00 T
ATOM 572 HA MOH T 96 -1.738 8.513 8.615 1.00 0.00 T
ATOM 573 HB MOH T 96 -2.374 6.701 8.383 1.00 0.00 T
ATOM 574 HC MOH T 96 -2.414 8.008 7.127 1.00 0.00 T
ATOM 575 O MOH T 96 -3.717 8.310 8.635 1.00 0.00 T
ATOM 576 H MOH T 96 -3.802 8.018 9.545 1.00 0.00 T
ATOM 577 C MOH T 97 11.109 -9.926 1.710 1.00 0.00 T
ATOM 578 HA MOH T 97 11.924 -10.269 2.382 1.00 0.00 T
ATOM 579 HB MOH T 97 10.144 -10.456 1.860 1.00 0.00 T
ATOM 580 HC MOH T 97 11.473 -9.953 0.661 1.00 0.00 T
ATOM 581 O MOH T 97 10.812 -8.583 2.049 1.00 0.00 T
ATOM 582 H MOH T 97 10.413 -8.309 1.220 1.00 0.00 T
ATOM 583 C MOH T 98 10.464 -10.804 7.124 1.00 0.00 T
ATOM 584 HA MOH T 98 10.630 -11.838 7.493 1.00 0.00 T
ATOM 585 HB MOH T 98 9.442 -10.677 6.706 1.00 0.00 T
ATOM 586 HC MOH T 98 11.254 -10.676 6.353 1.00 0.00 T
ATOM 587 O MOH T 98 10.507 -9.770 8.119 1.00 0.00 T
ATOM 588 H MOH T 98 10.365 -8.942 7.655 1.00 0.00 T
ATOM 589 C MOH T 99 7.437 -0.576 11.948 1.00 0.00 T
ATOM 590 HA MOH T 99 7.506 -0.987 10.918 1.00 0.00 T
ATOM 591 HB MOH T 99 7.992 0.379 11.835 1.00 0.00 T
ATOM 592 HC MOH T 99 7.868 -1.268 12.704 1.00 0.00 T
ATOM 593 O MOH T 99 6.020 -0.402 12.205 1.00 0.00 T
ATOM 594 H MOH T 99 5.631 -0.324 11.331 1.00 0.00 T
ATOM 595 C MOH T 100 -0.163 4.551 -1.479 1.00 0.00 T
ATOM 596 HA MOH T 100 -0.111 3.451 -1.331 1.00 0.00 T
ATOM 597 HB MOH T 100 0.261 5.174 -0.663 1.00 0.00 T
ATOM 598 HC MOH T 100 -1.229 4.815 -1.647 1.00 0.00 T
ATOM 599 O MOH T 100 0.582 4.957 -2.627 1.00 0.00 T
ATOM 600 H MOH T 100 0.436 5.904 -2.564 1.00 0.00 T
ATOM 601 C MOH T 101 9.365 11.258 10.079 1.00 0.00 T
ATOM 602 HA MOH T 101 9.159 11.951 10.922 1.00 0.00 T
ATOM 603 HB MOH T 101 10.421 11.416 9.773 1.00 0.00 T
ATOM 604 HC MOH T 101 8.791 11.623 9.200 1.00 0.00 T
ATOM 605 O MOH T 101 9.163 9.895 10.383 1.00 0.00 T
ATOM 606 H MOH T 101 8.532 9.914 11.106 1.00 0.00 T
ATOM 607 C MOH T 102 -8.482 -2.995 -5.754 1.00 0.00 T
ATOM 608 HA MOH T 102 -8.835 -2.126 -5.159 1.00 0.00 T
ATOM 609 HB MOH T 102 -7.917 -2.718 -6.669 1.00 0.00 T
ATOM 610 HC MOH T 102 -9.247 -3.796 -5.841 1.00 0.00 T
ATOM 611 O MOH T 102 -7.452 -3.507 -4.922 1.00 0.00 T
ATOM 612 H MOH T 102 -6.737 -2.888 -5.086 1.00 0.00 T
ATOM 613 C MOH T 103 -12.087 3.451 1.543 1.00 0.00 T
ATOM 614 HA MOH T 103 -11.459 3.677 2.431 1.00 0.00 T
ATOM 615 HB MOH T 103 -12.167 4.495 1.171 1.00 0.00 T
ATOM 616 HC MOH T 103 -13.084 3.148 1.927 1.00 0.00 T
ATOM 617 O MOH T 103 -11.561 2.597 0.530 1.00 0.00 T
ATOM 618 H MOH T 103 -11.209 3.172 -0.154 1.00 0.00 T
ATOM 619 C MOH T 104 -8.477 -2.624 -1.907 1.00 0.00 T
ATOM 620 HA MOH T 104 -9.402 -2.025 -2.044 1.00 0.00 T
ATOM 621 HB MOH T 104 -8.215 -2.646 -0.827 1.00 0.00 T
ATOM 622 HC MOH T 104 -7.602 -2.182 -2.430 1.00 0.00 T
ATOM 623 O MOH T 104 -8.806 -3.974 -2.366 1.00 0.00 T
ATOM 624 H MOH T 104 -8.286 -4.098 -3.164 1.00 0.00 T
ATOM 625 C MOH T 105 -4.608 0.486 0.216 1.00 0.00 T
ATOM 626 HA MOH T 105 -5.658 0.253 -0.062 1.00 0.00 T
ATOM 627 HB MOH T 105 -3.967 -0.421 0.252 1.00 0.00 T
ATOM 628 HC MOH T 105 -4.718 1.100 1.136 1.00 0.00 T
ATOM 629 O MOH T 105 -4.088 1.379 -0.758 1.00 0.00 T
ATOM 630 H MOH T 105 -4.042 2.261 -0.383 1.00 0.00 T
ATOM 631 C MOH T 106 10.216 1.104 -4.488 1.00 0.00 T
ATOM 632 HA MOH T 106 9.562 0.789 -3.647 1.00 0.00 T
ATOM 633 HB MOH T 106 10.312 2.210 -4.547 1.00 0.00 T
ATOM 634 HC MOH T 106 9.932 0.702 -5.484 1.00 0.00 T
ATOM 635 O MOH T 106 11.527 0.628 -4.281 1.00 0.00 T
ATOM 636 H MOH T 106 11.346 -0.272 -4.563 1.00 0.00 T
ATOM 637 C MOH T 107 -11.530 -6.176 -11.296 1.00 0.00 T
ATOM 638 HA MOH T 107 -10.750 -6.905 -11.606 1.00 0.00 T
ATOM 639 HB MOH T 107 -12.390 -6.075 -11.992 1.00 0.00 T
ATOM 640 HC MOH T 107 -11.157 -5.137 -11.175 1.00 0.00 T
ATOM 641 O MOH T 107 -12.043 -6.434 -9.988 1.00 0.00 T
ATOM 642 H MOH T 107 -12.395 -7.311 -10.155 1.00 0.00 T
ATOM 643 C MOH T 108 -0.395 8.682 -1.934 1.00 0.00 T
ATOM 644 HA MOH T 108 0.082 8.527 -0.942 1.00 0.00 T
ATOM 645 HB MOH T 108 0.250 9.466 -2.386 1.00 0.00 T
ATOM 646 HC MOH T 108 -1.453 9.000 -1.821 1.00 0.00 T
ATOM 647 O MOH T 108 -0.446 7.530 -2.710 1.00 0.00 T
ATOM 648 H MOH T 108 -0.817 7.918 -3.506 1.00 0.00 T
ATOM 649 C MOH T 109 6.532 -9.085 7.712 1.00 0.00 T
ATOM 650 HA MOH T 109 5.706 -9.320 7.007 1.00 0.00 T
ATOM 651 HB MOH T 109 6.069 -8.849 8.694 1.00 0.00 T
ATOM 652 HC MOH T 109 7.147 -8.218 7.388 1.00 0.00 T
ATOM 653 O MOH T 109 7.307 -10.255 7.775 1.00 0.00 T
ATOM 654 H MOH T 109 7.298 -10.509 6.849 1.00 0.00 T
ATOM 655 C MOH T 110 -7.437 2.923 -1.301 1.00 0.00 T
ATOM 656 HA MOH T 110 -6.665 2.403 -0.694 1.00 0.00 T
ATOM 657 HB MOH T 110 -8.146 2.183 -1.732 1.00 0.00 T
ATOM 658 HC MOH T 110 -6.819 3.455 -2.056 1.00 0.00 T
ATOM 659 O MOH T 110 -8.113 3.674 -0.349 1.00 0.00 T
ATOM 660 H MOH T 110 -8.958 3.635 -0.802 1.00 0.00 T
ATOM 661 C MOH T 111 8.498 -1.139 0.396 1.00 0.00 T
ATOM 662 HA MOH T 111 7.660 -0.914 1.091 1.00 0.00 T
ATOM 663 HB MOH T 111 8.650 -0.177 -0.138 1.00 0.00 T
ATOM 664 HC MOH T 111 8.129 -1.871 -0.354 1.00 0.00 T
ATOM 665 O MOH T 111 9.664 -1.408 1.092 1.00 0.00 T
ATOM 666 H MOH T 111 10.231 -0.729 0.721 1.00 0.00 T
ATOM 667 C MOH T 112 -2.027 1.600 -11.661 1.00 0.00 T
ATOM 668 HA MOH T 112 -2.627 2.423 -11.219 1.00 0.00 T
ATOM 669 HB MOH T 112 -2.147 1.740 -12.757 1.00 0.00 T
ATOM 670 HC MOH T 112 -2.370 0.608 -11.296 1.00 0.00 T
ATOM 671 O MOH T 112 -0.715 1.863 -11.137 1.00 0.00 T
ATOM 672 H MOH T 112 -0.361 0.971 -11.101 1.00 0.00 T
ATOM 673 C MOH T 113 -4.618 -0.548 6.826 1.00 0.00 T
ATOM 674 HA MOH T 113 -5.707 -0.499 6.615 1.00 0.00 T
ATOM 675 HB MOH T 113 -4.481 -1.460 7.445 1.00 0.00 T
ATOM 676 HC MOH T 113 -4.357 0.381 7.376 1.00 0.00 T
ATOM 677 O MOH T 113 -4.132 -0.586 5.501 1.00 0.00 T
ATOM 678 H MOH T 113 -4.945 -0.886 5.089 1.00 0.00 T
ATOM 679 C MOH T 114 10.141 3.010 -11.892 1.00 0.00 T
ATOM 680 HA MOH T 114 9.537 2.192 -12.341 1.00 0.00 T
ATOM 681 HB MOH T 114 10.813 3.564 -12.582 1.00 0.00 T
ATOM 682 HC MOH T 114 10.756 2.524 -11.106 1.00 0.00 T
ATOM 683 O MOH T 114 9.296 3.921 -11.111 1.00 0.00 T
ATOM 684 H MOH T 114 9.972 4.306 -10.549 1.00 0.00 T
ATOM 685 C MOH T 115 0.409 -11.701 8.216 1.00 0.00 T
ATOM 686 HA MOH T 115 1.406 -11.349 8.556 1.00 0.00 T
ATOM 687 HB MOH T 115 -0.310 -10.988 8.673 1.00 0.00 T
ATOM 688 HC MOH T 115 0.150 -12.743 8.504 1.00 0.00 T
ATOM 689 O MOH T 115 0.368 -11.746 6.785 1.00 0.00 T
ATOM 690 H MOH T 115 1.263 -11.999 6.546 1.00 0.00 T
ATOM 691 C MOH T 116 -10.530 5.806 -5.801 1.00 0.00 T
ATOM 692 HA MOH T 116 -9.715 5.243 -6.305 1.00 0.00 T
ATOM 693 HB MOH T 116 -11.040 5.095 -5.116 1.00 0.00 T
ATOM 694 HC MOH T 116 -11.141 6.279 -6.599 1.00 0.00 T
ATOM 695 O MOH T 116 -9.869 6.831 -5.066 1.00 0.00 T
ATOM 696 H MOH T 116 -10.573 7.163 -4.503 1.00 0.00 T
ATOM 697 C MOH T 117 4.174 4.010 -6.991 1.00 0.00 T
ATOM 698 HA MOH T 117 3.161 4.248 -7.381 1.00 0.00 T
ATOM 699 HB MOH T 117 4.882 4.173 -7.832 1.00 0.00 T
ATOM 700 HC MOH T 117 4.405 2.981 -6.641 1.00 0.00 T
ATOM 701 O MOH T 117 4.381 4.962 -5.967 1.00 0.00 T
ATOM 702 H MOH T 117 3.565 4.797 -5.489 1.00 0.00 T
ATOM 703 C MOH T 118 -7.614 -6.178 4.511 1.00 0.00 T
ATOM 704 HA MOH T 118 -8.435 -6.208 3.763 1.00 0.00 T
ATOM 705 HB MOH T 118 -7.571 -5.200 5.036 1.00 0.00 T
ATOM 706 HC MOH T 118 -6.668 -6.285 3.938 1.00 0.00 T
ATOM 707 O MOH T 118 -7.768 -7.226 5.381 1.00 0.00 T
ATOM 708 H MOH T 118 -7.911 -7.998 4.829 1.00 0.00 T
ATOM 709 C MOH T 119 -8.081 3.296 -9.202 1.00 0.00 T
ATOM 710 HA MOH T 119 -8.308 2.910 -10.219 1.00 0.00 T
ATOM 711 HB MOH T 119 -8.042 4.392 -9.021 1.00 0.00 T
ATOM 712 HC MOH T 119 -7.067 2.966 -8.893 1.00 0.00 T
ATOM 713 O MOH T 119 -8.888 2.666 -8.230 1.00 0.00 T
ATOM 714 H MOH T 119 -9.768 3.048 -8.277 1.00 0.00 T
ATOM 715 C MOH T 120 2.251 2.119 -9.404 1.00 0.00 T
ATOM 716 HA MOH T 120 3.129 2.438 -10.006 1.00 0.00 T
ATOM 717 HB MOH T 120 1.493 1.546 -9.981 1.00 0.00 T
ATOM 718 HC MOH T 120 1.770 2.989 -8.908 1.00 0.00 T
ATOM 719 O MOH T 120 2.810 1.354 -8.393 1.00 0.00 T
ATOM 720 H MOH T 120 3.457 0.852 -8.893 1.00 0.00 T
ATOM 721 C MOH T 121 -0.627 0.055 8.980 1.00 0.00 T
ATOM 722 HA MOH T 121 -1.001 0.774 9.740 1.00 0.00 T
ATOM 723 HB MOH T 121 -1.365 -0.189 8.187 1.00 0.00 T
ATOM 724 HC MOH T 121 -0.234 -0.827 9.530 1.00 0.00 T
ATOM 725 O MOH T 121 0.480 0.679 8.311 1.00 0.00 T
ATOM 726 H MOH T 121 0.999 1.153 8.965 1.00 0.00 T
ATOM 727 C MOH T 122 7.642 1.067 5.528 1.00 0.00 T
ATOM 728 HA MOH T 122 7.693 0.331 6.358 1.00 0.00 T
ATOM 729 HB MOH T 122 7.108 0.507 4.731 1.00 0.00 T
ATOM 730 HC MOH T 122 8.670 1.367 5.231 1.00 0.00 T
ATOM 731 O MOH T 122 6.844 2.247 5.988 1.00 0.00 T
ATOM 732 H MOH T 122 7.397 2.882 6.449 1.00 0.00 T
ATOM 733 C MOH T 123 -9.002 -9.886 -9.447 1.00 0.00 T
ATOM 734 HA MOH T 123 -8.800 -9.036 -8.761 1.00 0.00 T
ATOM 735 HB MOH T 123 -9.441 -9.349 -10.315 1.00 0.00 T
ATOM 736 HC MOH T 123 -9.780 -10.528 -8.981 1.00 0.00 T
ATOM 737 O MOH T 123 -7.773 -10.525 -9.793 1.00 0.00 T
ATOM 738 H MOH T 123 -7.991 -11.402 -10.117 1.00 0.00 T
ATOM 739 C MOH T 124 4.801 -8.826 -2.206 1.00 0.00 T
ATOM 740 HA MOH T 124 3.859 -9.260 -1.806 1.00 0.00 T
ATOM 741 HB MOH T 124 5.558 -9.625 -2.354 1.00 0.00 T
ATOM 742 HC MOH T 124 5.009 -8.119 -1.374 1.00 0.00 T
ATOM 743 O MOH T 124 4.417 -8.289 -3.475 1.00 0.00 T
ATOM 744 H MOH T 124 3.563 -7.899 -3.277 1.00 0.00 T
ATOM 745 C MOH T 125 -10.599 -11.706 7.487 1.00 0.00 T
ATOM 746 HA MOH T 125 -10.757 -10.788 8.092 1.00 0.00 T
ATOM 747 HB MOH T 125 -10.077 -11.581 6.515 1.00 0.00 T
ATOM 748 HC MOH T 125 -11.524 -12.233 7.168 1.00 0.00 T
ATOM 749 O MOH T 125 -9.904 -12.636 8.335 1.00 0.00 T
ATOM 750 H MOH T 125 -9.023 -12.266 8.429 1.00 0.00 T
ATOM 751 C MOH T 126 -9.916 -8.263 7.538 1.00 0.00 T
ATOM 752 HA MOH T 126 -10.786 -7.846 6.987 1.00 0.00 T
ATOM 753 HB MOH T 126 -9.334 -8.988 6.930 1.00 0.00 T
ATOM 754 HC MOH T 126 -10.280 -8.695 8.495 1.00 0.00 T
ATOM 755 O MOH T 126 -9.064 -7.191 7.701 1.00 0.00 T
ATOM 756 H MOH T 126 -8.465 -7.189 6.951 1.00 0.00 T
ATOM 757 C MOH T 127 3.845 -2.252 -2.265 1.00 0.00 T
ATOM 758 HA MOH T 127 3.984 -1.267 -2.759 1.00 0.00 T
ATOM 759 HB MOH T 127 3.218 -3.021 -2.765 1.00 0.00 T
ATOM 760 HC MOH T 127 3.566 -2.112 -1.198 1.00 0.00 T
ATOM 761 O MOH T 127 5.143 -2.858 -2.389 1.00 0.00 T
ATOM 762 H MOH T 127 5.238 -3.549 -1.729 1.00 0.00 T
ATOM 763 C MOH T 128 -7.427 10.782 -11.785 1.00 0.00 T
ATOM 764 HA MOH T 128 -6.415 10.984 -11.375 1.00 0.00 T
ATOM 765 HB MOH T 128 -7.624 9.688 -11.763 1.00 0.00 T
ATOM 766 HC MOH T 128 -7.305 11.141 -12.829 1.00 0.00 T
ATOM 767 O MOH T 128 -8.433 11.414 -11.041 1.00 0.00 T
ATOM 768 H MOH T 128 -9.062 11.656 -11.725 1.00 0.00 T
ATOM 769 C MOH T 129 6.193 9.730 -11.243 1.00 0.00 T
ATOM 770 HA MOH T 129 6.647 8.717 -11.226 1.00 0.00 T
ATOM 771 HB MOH T 129 6.370 10.316 -10.315 1.00 0.00 T
ATOM 772 HC MOH T 129 5.143 9.569 -11.570 1.00 0.00 T
ATOM 773 O MOH T 129 6.937 10.195 -12.356 1.00 0.00 T
ATOM 774 H MOH T 129 6.755 11.136 -12.297 1.00 0.00 T
ATOM 775 C MOH T 130 -9.008 8.777 9.054 1.00 0.00 T
ATOM 776 HA MOH T 130 -9.825 8.587 8.325 1.00 0.00 T
ATOM 777 HB MOH T 130 -9.397 9.463 9.836 1.00 0.00 T
ATOM 778 HC MOH T 130 -8.060 9.193 8.652 1.00 0.00 T
ATOM 779 O MOH T 130 -8.731 7.473 9.653 1.00 0.00 T
ATOM 780 H MOH T 130 -9.609 7.169 9.894 1.00 0.00 T
ATOM 781 C MOH T 131 -11.147 11.448 0.156 1.00 0.00 T
ATOM 782 HA MOH T 131 -10.684 12.446 0.316 1.00 0.00 T
ATOM 783 HB MOH T 131 -10.404 10.636 0.004 1.00 0.00 T
ATOM 784 HC MOH T 131 -11.822 11.527 -0.723 1.00 0.00 T
ATOM 785 O MOH T 131 -11.854 11.165 1.351 1.00 0.00 T
ATOM 786 H MOH T 131 -11.102 10.916 1.894 1.00 0.00 T
ATOM 787 C MOH T 132 -7.123 7.111 -0.774 1.00 0.00 T
ATOM 788 HA MOH T 132 -6.901 7.433 -1.814 1.00 0.00 T
ATOM 789 HB MOH T 132 -8.226 6.972 -0.776 1.00 0.00 T
ATOM 790 HC MOH T 132 -6.664 7.858 -0.092 1.00 0.00 T
ATOM 791 O MOH T 132 -6.453 5.869 -0.531 1.00 0.00 T
ATOM 792 H MOH T 132 -7.199 5.289 -0.367 1.00 0.00 T
ATOM 793 C MOH T 133 -7.611 -2.075 5.119 1.00 0.00 T
ATOM 794 HA MOH T 133 -8.651 -1.685 5.129 1.00 0.00 T
ATOM 795 HB MOH T 133 -7.584 -3.133 4.781 1.00 0.00 T
ATOM 796 HC MOH T 133 -7.251 -2.055 6.170 1.00 0.00 T
ATOM 797 O MOH T 133 -6.649 -1.309 4.397 1.00 0.00 T
ATOM 798 H MOH T 133 -7.139 -0.993 3.634 1.00 0.00 T
ATOM 799 C MOH T 134 -2.163 -7.978 3.645 1.00 0.00 T
ATOM 800 HA MOH T 134 -1.643 -7.550 4.529 1.00 0.00 T
ATOM 801 HB MOH T 134 -2.001 -7.175 2.895 1.00 0.00 T
ATOM 802 HC MOH T 134 -3.256 -8.096 3.804 1.00 0.00 T
ATOM 803 O MOH T 134 -1.382 -9.164 3.345 1.00 0.00 T
ATOM 804 H MOH T 134 -1.676 -9.836 3.965 1.00 0.00 T
ATOM 805 C MOH T 135 3.746 -11.442 5.820 1.00 0.00 T
ATOM 806 HA MOH T 135 4.162 -11.377 4.792 1.00 0.00 T
ATOM 807 HB MOH T 135 3.458 -10.410 6.116 1.00 0.00 T
ATOM 808 HC MOH T 135 4.610 -11.793 6.423 1.00 0.00 T
ATOM 809 O MOH T 135 2.770 -12.528 5.937 1.00 0.00 T
ATOM 810 H MOH T 135 3.355 -13.284 5.850 1.00 0.00 T
ATOM 811 C MOH T 136 -11.122 -11.349 11.211 1.00 0.00 T
ATOM 812 HA MOH T 136 -11.747 -11.326 12.129 1.00 0.00 T
ATOM 813 HB MOH T 136 -10.729 -10.311 11.175 1.00 0.00 T
ATOM 814 HC MOH T 136 -11.758 -11.562 10.325 1.00 0.00 T
ATOM 815 O MOH T 136 -10.080 -12.309 11.026 1.00 0.00 T
ATOM 816 H MOH T 136 -10.230 -12.678 10.153 1.00 0.00 T
ATOM 817 C MOH T 137 8.707 -6.909 -0.186 1.00 0.00 T
ATOM 818 HA MOH T 137 9.041 -6.354 0.717 1.00 0.00 T
ATOM 819 HB MOH T 137 8.933 -6.237 -1.041 1.00 0.00 T
ATOM 820 HC MOH T 137 7.616 -7.116 -0.239 1.00 0.00 T
ATOM 821 O MOH T 137 9.534 -8.034 -0.492 1.00 0.00 T
ATOM 822 H MOH T 137 8.955 -8.798 -0.452 1.00 0.00 T
ATOM 823 C MOH T 138 -0.920 5.098 -10.134 1.00 0.00 T
ATOM 824 HA MOH T 138 -0.812 6.104 -10.593 1.00 0.00 T
ATOM 825 HB MOH T 138 -1.706 4.499 -10.641 1.00 0.00 T
ATOM 826 HC MOH T 138 -1.218 5.231 -9.072 1.00 0.00 T
ATOM 827 O MOH T 138 0.290 4.411 -10.293 1.00 0.00 T
ATOM 828 H MOH T 138 -0.004 3.667 -10.823 1.00 0.00 T
ATOM 829 C MOH T 139 2.878 5.314 0.448 1.00 0.00 T
ATOM 830 HA MOH T 139 3.035 5.936 1.355 1.00 0.00 T
ATOM 831 HB MOH T 139 3.904 5.077 0.094 1.00 0.00 T
ATOM 832 HC MOH T 139 2.336 5.837 -0.368 1.00 0.00 T
ATOM 833 O MOH T 139 2.209 4.088 0.817 1.00 0.00 T
ATOM 834 H MOH T 139 2.883 3.582 1.276 1.00 0.00 T
ATOM 835 C MOH T 140 -3.176 2.458 4.699 1.00 0.00 T
ATOM 836 HA MOH T 140 -2.208 2.123 5.129 1.00 0.00 T
ATOM 837 HB MOH T 140 -3.064 3.464 4.241 1.00 0.00 T
ATOM 838 HC MOH T 140 -3.898 2.655 5.521 1.00 0.00 T
ATOM 839 O MOH T 140 -3.651 1.626 3.645 1.00 0.00 T
ATOM 840 H MOH T 140 -4.101 0.931 4.131 1.00 0.00 T
ATOM 841 C MOH T 141 10.503 0.325 9.287 1.00 0.00 T
ATOM 842 HA MOH T 141 9.837 1.148 9.623 1.00 0.00 T
ATOM 843 HB MOH T 141 10.519 -0.485 10.047 1.00 0.00 T
ATOM 844 HC MOH T 141 11.517 0.765 9.404 1.00 0.00 T
ATOM 845 O MOH T 141 10.186 -0.056 7.926 1.00 0.00 T
ATOM 846 H MOH T 141 10.853 0.467 7.475 1.00 0.00 T
ATOM 847 C MOH T 142 -7.630 -5.435 -9.230 1.00 0.00 T
ATOM 848 HA MOH T 142 -8.323 -5.428 -8.362 1.00 0.00 T
ATOM 849 HB MOH T 142 -8.363 -5.420 -10.065 1.00 0.00 T
ATOM 850 HC MOH T 142 -6.945 -6.304 -9.330 1.00 0.00 T
ATOM 851 O MOH T 142 -6.825 -4.234 -9.328 1.00 0.00 T
ATOM 852 H MOH T 142 -7.559 -3.620 -9.402 1.00 0.00 T
ATOM 853 C MOH T 143 7.940 -2.661 8.021 1.00 0.00 T
ATOM 854 HA MOH T 143 7.834 -1.853 7.267 1.00 0.00 T
ATOM 855 HB MOH T 143 7.400 -3.624 7.897 1.00 0.00 T
ATOM 856 HC MOH T 143 7.618 -2.227 8.992 1.00 0.00 T
ATOM 857 O MOH T 143 9.379 -2.852 8.192 1.00 0.00 T
ATOM 858 H MOH T 143 9.717 -1.955 8.148 1.00 0.00 T
ATOM 859 C MOH T 144 6.550 -3.041 -5.181 1.00 0.00 T
ATOM 860 HA MOH T 144 6.482 -3.733 -4.314 1.00 0.00 T
ATOM 861 HB MOH T 144 5.932 -3.286 -6.071 1.00 0.00 T
ATOM 862 HC MOH T 144 7.588 -3.049 -5.577 1.00 0.00 T
ATOM 863 O MOH T 144 6.269 -1.727 -4.668 1.00 0.00 T
ATOM 864 H MOH T 144 5.817 -1.903 -3.840 1.00 0.00 T
ATOM 865 C MOH T 145 -4.175 -2.390 -4.316 1.00 0.00 T
ATOM 866 HA MOH T 145 -3.337 -2.155 -5.007 1.00 0.00 T
ATOM 867 HB MOH T 145 -3.996 -2.028 -3.282 1.00 0.00 T
ATOM 868 HC MOH T 145 -4.340 -3.469 -4.110 1.00 0.00 T
ATOM 869 O MOH T 145 -5.331 -1.758 -4.783 1.00 0.00 T
ATOM 870 H MOH T 145 -5.082 -0.832 -4.834 1.00 0.00 T
ATOM 871 C MOH T 146 -4.164 4.121 1.183 1.00 0.00 T
ATOM 872 HA MOH T 146 -4.609 5.050 1.598 1.00 0.00 T
ATOM 873 HB MOH T 146 -4.624 3.164 1.513 1.00 0.00 T
ATOM 874 HC MOH T 146 -3.073 4.095 1.392 1.00 0.00 T
ATOM 875 O MOH T 146 -4.421 4.061 -0.214 1.00 0.00 T
ATOM 876 H MOH T 146 -5.109 4.728 -0.261 1.00 0.00 T
ATOM 877 C MOH T 147 1.536 7.712 -5.871 1.00 0.00 T
ATOM 878 HA MOH T 147 1.687 6.726 -6.361 1.00 0.00 T
ATOM 879 HB MOH T 147 1.487 7.497 -4.783 1.00 0.00 T
ATOM 880 HC MOH T 147 0.519 7.890 -6.283 1.00 0.00 T
ATOM 881 O MOH T 147 2.529 8.640 -6.208 1.00 0.00 T
ATOM 882 H MOH T 147 3.410 8.362 -5.945 1.00 0.00 T
ATOM 883 C MOH T 148 -9.467 1.440 -4.597 1.00 0.00 T
ATOM 884 HA MOH T 148 -9.642 0.360 -4.790 1.00 0.00 T
ATOM 885 HB MOH T 148 -9.813 2.004 -5.490 1.00 0.00 T
ATOM 886 HC MOH T 148 -8.390 1.689 -4.486 1.00 0.00 T
ATOM 887 O MOH T 148 -10.271 1.918 -3.512 1.00 0.00 T
ATOM 888 H MOH T 148 -11.087 1.499 -3.794 1.00 0.00 T
ATOM 889 C MOH T 149 4.276 -3.917 -9.520 1.00 0.00 T
ATOM 890 HA MOH T 149 3.645 -3.003 -9.479 1.00 0.00 T
ATOM 891 HB MOH T 149 5.305 -3.502 -9.586 1.00 0.00 T
ATOM 892 HC MOH T 149 4.008 -4.410 -10.479 1.00 0.00 T
ATOM 893 O MOH T 149 4.129 -4.709 -8.362 1.00 0.00 T
ATOM 894 H MOH T 149 3.208 -4.971 -8.435 1.00 0.00 T
ATOM 895 C MOH T 150 -10.476 -2.930 -9.334 1.00 0.00 T
ATOM 896 HA MOH T 150 -11.110 -2.804 -8.430 1.00 0.00 T
ATOM 897 HB MOH T 150 -10.748 -2.232 -10.154 1.00 0.00 T
ATOM 898 HC MOH T 150 -10.613 -3.991 -9.632 1.00 0.00 T
ATOM 899 O MOH T 150 -9.076 -2.808 -9.046 1.00 0.00 T
ATOM 900 H MOH T 150 -9.052 -1.988 -8.546 1.00 0.00 T
ATOM 901 C MOH T 151 2.051 9.734 1.203 1.00 0.00 T
ATOM 902 HA MOH T 151 2.627 10.007 2.113 1.00 0.00 T
ATOM 903 HB MOH T 151 2.537 10.287 0.371 1.00 0.00 T
ATOM 904 HC MOH T 151 1.028 10.155 1.311 1.00 0.00 T
ATOM 905 O MOH T 151 2.074 8.328 1.025 1.00 0.00 T
ATOM 906 H MOH T 151 1.794 7.966 1.869 1.00 0.00 T
ATOM 907 C MOH T 152 1.892 0.707 3.165 1.00 0.00 T
ATOM 908 HA MOH T 152 2.867 0.217 3.374 1.00 0.00 T
ATOM 909 HB MOH T 152 2.013 1.766 3.480 1.00 0.00 T
ATOM 910 HC MOH T 152 1.000 0.207 3.601 1.00 0.00 T
ATOM 911 O MOH T 152 1.754 0.646 1.779 1.00 0.00 T
ATOM 912 H MOH T 152 2.494 1.158 1.443 1.00 0.00 T
ATOM 913 C MOH T 153 0.450 -5.244 -9.975 1.00 0.00 T
ATOM 914 HA MOH T 153 0.898 -4.765 -10.872 1.00 0.00 T
ATOM 915 HB MOH T 153 0.043 -6.211 -10.341 1.00 0.00 T
ATOM 916 HC MOH T 153 -0.304 -4.504 -9.631 1.00 0.00 T
ATOM 917 O MOH T 153 1.475 -5.619 -9.049 1.00 0.00 T
ATOM 918 H MOH T 153 1.549 -6.554 -9.254 1.00 0.00 T
ATOM 919 C MOH T 154 -10.486 10.164 -8.257 1.00 0.00 T
ATOM 920 HA MOH T 154 -9.726 10.714 -7.662 1.00 0.00 T
ATOM 921 HB MOH T 154 -11.263 9.857 -7.524 1.00 0.00 T
ATOM 922 HC MOH T 154 -9.976 9.312 -8.754 1.00 0.00 T
ATOM 923 O MOH T 154 -10.889 10.989 -9.374 1.00 0.00 T
ATOM 924 H MOH T 154 -10.122 10.855 -9.935 1.00 0.00 T
ATOM 925 C MOH T 155 9.715 -6.358 7.209 1.00 0.00 T
ATOM 926 HA MOH T 155 10.009 -6.171 8.264 1.00 0.00 T
ATOM 927 HB MOH T 155 9.974 -5.467 6.598 1.00 0.00 T
ATOM 928 HC MOH T 155 8.616 -6.445 7.067 1.00 0.00 T
ATOM 929 O MOH T 155 10.395 -7.442 6.641 1.00 0.00 T
ATOM 930 H MOH T 155 10.752 -7.197 5.784 1.00 0.00 T
ATOM 931 C MOH T 156 -5.477 9.069 -8.299 1.00 0.00 T
ATOM 932 HA MOH T 156 -5.048 9.403 -7.330 1.00 0.00 T
ATOM 933 HB MOH T 156 -4.819 9.277 -9.169 1.00 0.00 T
ATOM 934 HC MOH T 156 -6.482 9.533 -8.384 1.00 0.00 T
ATOM 935 O MOH T 156 -5.779 7.686 -8.174 1.00 0.00 T
ATOM 936 H MOH T 156 -6.446 7.570 -7.493 1.00 0.00 T
ATOM 937 C MOH T 157 3.028 -1.023 -5.924 1.00 0.00 T
ATOM 938 HA MOH T 157 2.721 -1.947 -6.460 1.00 0.00 T
ATOM 939 HB MOH T 157 4.010 -0.719 -6.344 1.00 0.00 T
ATOM 940 HC MOH T 157 3.045 -1.184 -4.824 1.00 0.00 T
ATOM 941 O MOH T 157 2.077 -0.054 -6.224 1.00 0.00 T
ATOM 942 H MOH T 157 2.405 0.413 -6.996 1.00 0.00 T
ATOM 943 C MOH T 158 -5.450 -11.045 3.792 1.00 0.00 T
ATOM 944 HA MOH T 158 -6.009 -11.639 4.547 1.00 0.00 T
ATOM 945 HB MOH T 158 -5.890 -11.276 2.798 1.00 0.00 T
ATOM 946 HC MOH T 158 -4.364 -11.273 3.756 1.00 0.00 T
ATOM 947 O MOH T 158 -5.640 -9.629 3.790 1.00 0.00 T
ATOM 948 H MOH T 158 -6.577 -9.487 3.634 1.00 0.00 T
ATOM 949 C MOH T 159 6.151 3.383 -12.014 1.00 0.00 T
ATOM 950 HA MOH T 159 6.192 3.228 -10.915 1.00 0.00 T
ATOM 951 HB MOH T 159 5.074 3.427 -12.285 1.00 0.00 T
ATOM 952 HC MOH T 159 6.608 2.522 -12.545 1.00 0.00 T
ATOM 953 O MOH T 159 6.829 4.460 -12.576 1.00 0.00 T
ATOM 954 H MOH T 159 7.618 4.428 -12.030 1.00 0.00 T
ATOM 955 C MOH T 160 -0.814 -5.572 10.311 1.00 0.00 T
ATOM 956 HA MOH T 160 0.293 -5.659 10.357 1.00 0.00 T
ATOM 957 HB MOH T 160 -1.404 -6.337 10.860 1.00 0.00 T
ATOM 958 HC MOH T 160 -1.126 -5.569 9.245 1.00 0.00 T
ATOM 959 O MOH T 160 -1.204 -4.323 10.826 1.00 0.00 T
ATOM 960 H MOH T 160 -2.041 -4.547 11.239 1.00 0.00 T
ATOM 961 C MOH T 161 -3.120 11.506 -3.582 1.00 0.00 T
ATOM 962 HA MOH T 161 -4.216 11.561 -3.408 1.00 0.00 T
ATOM 963 HB MOH T 161 -2.923 11.366 -4.667 1.00 0.00 T
ATOM 964 HC MOH T 161 -2.734 10.635 -3.010 1.00 0.00 T
ATOM 965 O MOH T 161 -2.627 12.755 -3.132 1.00 0.00 T
ATOM 966 H MOH T 161 -2.217 13.058 -3.946 1.00 0.00 T
ATOM 967 C MOH T 162 9.051 -8.241 10.784 1.00 0.00 T
ATOM 968 HA MOH T 162 8.978 -7.275 11.327 1.00 0.00 T
ATOM 969 HB MOH T 162 8.741 -8.067 9.731 1.00 0.00 T
ATOM 970 HC MOH T 162 8.318 -8.941 11.240 1.00 0.00 T
ATOM 971 O MOH T 162 10.383 -8.778 10.740 1.00 0.00 T
ATOM 972 H MOH T 162 10.372 -9.261 9.911 1.00 0.00 T
ATOM 973 C MOH T 163 -0.087 7.674 11.177 1.00 0.00 T
ATOM 974 HA MOH T 163 0.559 8.273 11.854 1.00 0.00 T
ATOM 975 HB MOH T 163 -1.024 8.181 10.860 1.00 0.00 T
ATOM 976 HC MOH T 163 -0.431 6.704 11.595 1.00 0.00 T
ATOM 977 O MOH T 163 0.572 7.293 10.032 1.00 0.00 T
ATOM 978 H MOH T 163 1.442 7.067 10.368 1.00 0.00 T
ATOM 979 C MOH T 164 6.448 6.678 1.067 1.00 0.00 T
ATOM 980 HA MOH T 164 6.684 5.593 1.125 1.00 0.00 T
ATOM 981 HB MOH T 164 5.368 6.938 1.061 1.00 0.00 T
ATOM 982 HC MOH T 164 6.835 7.226 0.181 1.00 0.00 T
ATOM 983 O MOH T 164 7.007 7.134 2.300 1.00 0.00 T
ATOM 984 H MOH T 164 7.837 6.654 2.250 1.00 0.00 T
ATOM 985 C MOH T 165 -2.738 -9.190 9.232 1.00 0.00 T
ATOM 986 HA MOH T 165 -2.925 -10.249 9.511 1.00 0.00 T
ATOM 987 HB MOH T 165 -2.268 -9.165 8.226 1.00 0.00 T
ATOM 988 HC MOH T 165 -2.011 -8.766 9.957 1.00 0.00 T
ATOM 989 O MOH T 165 -3.907 -8.430 9.173 1.00 0.00 T
ATOM 990 H MOH T 165 -4.387 -8.633 9.979 1.00 0.00 T
ATOM 991 C MOH T 166 0.808 -10.126 1.404 1.00 0.00 T
ATOM 992 HA MOH T 166 1.424 -10.334 0.502 1.00 0.00 T
ATOM 993 HB MOH T 166 1.549 -10.196 2.229 1.00 0.00 T
ATOM 994 HC MOH T 166 0.068 -10.953 1.455 1.00 0.00 T
ATOM 995 O MOH T 166 0.319 -8.771 1.441 1.00 0.00 T
ATOM 996 H MOH T 166 -0.169 -8.800 2.267 1.00 0.00 T
ATOM 997 C MOH T 167 -5.194 9.815 6.267 1.00 0.00 T
ATOM 998 HA MOH T 167 -5.602 10.706 5.742 1.00 0.00 T
ATOM 999 HB MOH T 167 -4.102 9.616 6.226 1.00 0.00 T
ATOM 1000 HC MOH T 167 -5.804 8.925 6.002 1.00 0.00 T
ATOM 1001 O MOH T 167 -5.267 10.114 7.617 1.00 0.00 T
ATOM 1002 H MOH T 167 -4.690 9.464 8.024 1.00 0.00 T
ATOM 1003 C MOH T 168 9.608 5.809 -5.285 1.00 0.00 T
ATOM 1004 HA MOH T 168 10.123 5.283 -4.453 1.00 0.00 T
ATOM 1005 HB MOH T 168 10.069 6.819 -5.278 1.00 0.00 T
ATOM 1006 HC MOH T 168 8.530 5.852 -5.019 1.00 0.00 T
ATOM 1007 O MOH T 168 9.836 5.252 -6.601 1.00 0.00 T
ATOM 1008 H MOH T 168 9.617 4.331 -6.445 1.00 0.00 T
ATOM 1009 C MOH T 169 -6.008 -10.068 11.155 1.00 0.00 T
ATOM 1010 HA MOH T 169 -6.491 -9.139 10.785 1.00 0.00 T
ATOM 1011 HB MOH T 169 -5.994 -10.817 10.335 1.00 0.00 T
ATOM 1012 HC MOH T 169 -6.662 -10.385 11.995 1.00 0.00 T
ATOM 1013 O MOH T 169 -4.718 -9.752 11.688 1.00 0.00 T
ATOM 1014 H MOH T 169 -4.969 -9.458 12.567 1.00 0.00 T
ATOM 1015 C MOH T 170 6.859 7.014 9.339 1.00 0.00 T
ATOM 1016 HA MOH T 170 6.476 7.252 10.354 1.00 0.00 T
ATOM 1017 HB MOH T 170 7.752 7.589 9.015 1.00 0.00 T
ATOM 1018 HC MOH T 170 6.003 7.281 8.684 1.00 0.00 T
ATOM 1019 O MOH T 170 7.148 5.642 9.309 1.00 0.00 T
ATOM 1020 H MOH T 170 6.918 5.243 10.152 1.00 0.00 T
ATOM 1021 C MOH T 171 2.867 -9.653 -5.751 1.00 0.00 T
ATOM 1022 HA MOH T 171 2.924 -8.549 -5.865 1.00 0.00 T
ATOM 1023 HB MOH T 171 2.324 -9.899 -4.814 1.00 0.00 T
ATOM 1024 HC MOH T 171 3.931 -9.920 -5.576 1.00 0.00 T
ATOM 1025 O MOH T 171 2.205 -10.194 -6.845 1.00 0.00 T
ATOM 1026 H MOH T 171 2.373 -11.129 -6.706 1.00 0.00 T
ATOM 1027 C MOH T 172 -5.018 -8.892 -8.643 1.00 0.00 T
ATOM 1028 HA MOH T 172 -5.900 -8.554 -8.058 1.00 0.00 T
ATOM 1029 HB MOH T 172 -4.589 -9.778 -8.128 1.00 0.00 T
ATOM 1030 HC MOH T 172 -4.203 -8.139 -8.686 1.00 0.00 T
ATOM 1031 O MOH T 172 -5.477 -9.150 -9.963 1.00 0.00 T
ATOM 1032 H MOH T 172 -6.229 -9.718 -9.780 1.00 0.00 T
ATOM 1033 C MOH T 173 -0.940 -1.204 -6.296 1.00 0.00 T
ATOM 1034 HA MOH T 173 -2.044 -1.294 -6.380 1.00 0.00 T
ATOM 1035 HB MOH T 173 -0.596 -1.330 -7.345 1.00 0.00 T
ATOM 1036 HC MOH T 173 -0.520 -1.992 -5.634 1.00 0.00 T
ATOM 1037 O MOH T 173 -0.601 0.081 -5.980 1.00 0.00 T
ATOM 1038 H MOH T 173 0.352 0.099 -6.096 1.00 0.00 T
ATOM 1039 C MOH T 174 -0.009 -9.236 -9.134 1.00 0.00 T
ATOM 1040 HA MOH T 174 0.007 -10.345 -9.073 1.00 0.00 T
ATOM 1041 HB MOH T 174 -0.552 -8.846 -8.247 1.00 0.00 T
ATOM 1042 HC MOH T 174 -0.496 -8.922 -10.082 1.00 0.00 T
ATOM 1043 O MOH T 174 1.343 -8.802 -9.234 1.00 0.00 T
ATOM 1044 H MOH T 174 1.753 -9.236 -8.482 1.00 0.00 T
ATOM 1045 C MOH T 175 10.945 9.565 3.584 1.00 0.00 T
ATOM 1046 HA MOH T 175 11.518 8.938 2.868 1.00 0.00 T
ATOM 1047 HB MOH T 175 11.642 10.041 4.306 1.00 0.00 T
ATOM 1048 HC MOH T 175 10.155 8.969 4.088 1.00 0.00 T
ATOM 1049 O MOH T 175 10.292 10.557 2.812 1.00 0.00 T
ATOM 1050 H MOH T 175 10.991 10.906 2.253 1.00 0.00 T
ATOM 1051 C MOH T 176 -6.463 3.076 11.365 1.00 0.00 T
ATOM 1052 HA MOH T 176 -6.872 2.503 10.505 1.00 0.00 T
ATOM 1053 HB MOH T 176 -7.348 3.452 11.922 1.00 0.00 T
ATOM 1054 HC MOH T 176 -6.031 4.013 10.955 1.00 0.00 T
ATOM 1055 O MOH T 176 -5.322 2.448 12.048 1.00 0.00 T
ATOM 1056 H MOH T 176 -5.624 1.537 12.045 1.00 0.00 T
ATOM 1057 C MOH T 177 4.736 11.137 -6.351 1.00 0.00 T
ATOM 1058 HA MOH T 177 5.063 10.728 -5.371 1.00 0.00 T
ATOM 1059 HB MOH T 177 4.845 10.389 -7.166 1.00 0.00 T
ATOM 1060 HC MOH T 177 5.408 11.938 -6.727 1.00 0.00 T
ATOM 1061 O MOH T 177 3.341 11.379 -6.460 1.00 0.00 T
ATOM 1062 H MOH T 177 3.010 10.482 -6.376 1.00 0.00 T
ATOM 1063 C MOH T 178 2.118 -3.233 10.704 1.00 0.00 T
ATOM 1064 HA MOH T 178 2.396 -4.219 11.134 1.00 0.00 T
ATOM 1065 HB MOH T 178 1.768 -3.293 9.651 1.00 0.00 T
ATOM 1066 HC MOH T 178 3.061 -2.665 10.553 1.00 0.00 T
ATOM 1067 O MOH T 178 1.063 -2.666 11.482 1.00 0.00 T
ATOM 1068 H MOH T 178 0.205 -2.949 11.158 1.00 0.00 T
ATOM 1069 C MOH T 179 3.886 5.839 11.008 1.00 0.00 T
ATOM 1070 HA MOH T 179 4.194 5.895 9.942 1.00 0.00 T
ATOM 1071 HB MOH T 179 4.757 5.919 11.694 1.00 0.00 T
ATOM 1072 HC MOH T 179 3.315 4.926 11.279 1.00 0.00 T
ATOM 1073 O MOH T 179 3.033 6.924 11.186 1.00 0.00 T
ATOM 1074 H MOH T 179 2.702 6.657 12.046 1.00 0.00 T
ATOM 1075 C MOH T 180 -0.610 -9.118 -5.390 1.00 0.00 T
ATOM 1076 HA MOH T 180 0.264 -9.119 -4.705 1.00 0.00 T
ATOM 1077 HB MOH T 180 -0.125 -9.133 -6.390 1.00 0.00 T
ATOM 1078 HC MOH T 180 -1.190 -8.180 -5.260 1.00 0.00 T
ATOM 1079 O MOH T 180 -1.440 -10.228 -5.194 1.00 0.00 T
ATOM 1080 H MOH T 180 -1.249 -10.838 -5.910 1.00 0.00 T
ATOM 1081 C MOH T 181 10.812 -3.510 11.278 1.00 0.00 T
ATOM 1082 HA MOH T 181 11.061 -2.445 11.087 1.00 0.00 T
ATOM 1083 HB MOH T 181 10.964 -3.791 12.342 1.00 0.00 T
ATOM 1084 HC MOH T 181 11.379 -4.163 10.581 1.00 0.00 T
ATOM 1085 O MOH T 181 9.425 -3.607 10.953 1.00 0.00 T
ATOM 1086 H MOH T 181 9.408 -3.463 10.004 1.00 0.00 T
ATOM 1087 C MOH T 182 -6.781 5.983 -5.353 1.00 0.00 T
ATOM 1088 HA MOH T 182 -5.741 5.761 -5.673 1.00 0.00 T
ATOM 1089 HB MOH T 182 -6.803 6.242 -4.273 1.00 0.00 T
ATOM 1090 HC MOH T 182 -7.368 5.068 -5.583 1.00 0.00 T
ATOM 1091 O MOH T 182 -7.241 7.095 -6.039 1.00 0.00 T
ATOM 1092 H MOH T 182 -8.154 7.105 -5.741 1.00 0.00 T
ATOM 1093 C MOH T 183 12.055 6.282 10.832 1.00 0.00 T
ATOM 1094 HA MOH T 183 11.412 5.795 10.068 1.00 0.00 T
ATOM 1095 HB MOH T 183 12.819 5.514 11.079 1.00 0.00 T
ATOM 1096 HC MOH T 183 11.398 6.510 11.699 1.00 0.00 T
ATOM 1097 O MOH T 183 12.758 7.360 10.337 1.00 0.00 T
ATOM 1098 H MOH T 183 12.084 7.715 9.753 1.00 0.00 T
ATOM 1099 C MOH T 184 11.059 6.694 -9.169 1.00 0.00 T
ATOM 1100 HA MOH T 184 10.838 7.158 -8.184 1.00 0.00 T
ATOM 1101 HB MOH T 184 12.107 6.959 -9.426 1.00 0.00 T
ATOM 1102 HC MOH T 184 10.362 7.085 -9.941 1.00 0.00 T
ATOM 1103 O MOH T 184 10.868 5.277 -8.970 1.00 0.00 T
ATOM 1104 H MOH T 184 10.347 5.334 -8.166 1.00 0.00 T
ATOM 1105 C MOH T 185 3.521 7.721 -2.423 1.00 0.00 T
ATOM 1106 HA MOH T 185 3.053 8.592 -2.928 1.00 0.00 T
ATOM 1107 HB MOH T 185 3.178 6.726 -2.779 1.00 0.00 T
ATOM 1108 HC MOH T 185 3.523 7.737 -1.312 1.00 0.00 T
ATOM 1109 O MOH T 185 4.846 7.924 -2.732 1.00 0.00 T
ATOM 1110 H MOH T 185 4.876 7.727 -3.671 1.00 0.00 T
ATOM 1111 C MOH T 186 -2.056 -0.804 2.228 1.00 0.00 T
ATOM 1112 HA MOH T 186 -3.137 -0.965 2.031 1.00 0.00 T
ATOM 1113 HB MOH T 186 -1.514 -1.499 1.552 1.00 0.00 T
ATOM 1114 HC MOH T 186 -1.867 -0.964 3.311 1.00 0.00 T
ATOM 1115 O MOH T 186 -1.688 0.456 1.866 1.00 0.00 T
ATOM 1116 H MOH T 186 -2.380 0.992 2.260 1.00 0.00 T
ATOM 1117 C MOH T 187 5.384 -5.249 -0.146 1.00 0.00 T
ATOM 1118 HA MOH T 187 6.190 -5.302 -0.908 1.00 0.00 T
ATOM 1119 HB MOH T 187 5.975 -5.545 0.747 1.00 0.00 T
ATOM 1120 HC MOH T 187 4.507 -5.890 -0.380 1.00 0.00 T
ATOM 1121 O MOH T 187 5.073 -3.951 0.170 1.00 0.00 T
ATOM 1122 H MOH T 187 4.358 -3.953 0.811 1.00 0.00 T
ATOM 1123 C MOH T 188 4.703 0.346 -0.124 1.00 0.00 T
ATOM 1124 HA MOH T 188 4.434 -0.235 0.783 1.00 0.00 T
ATOM 1125 HB MOH T 188 4.638 -0.307 -1.021 1.00 0.00 T
ATOM 1126 HC MOH T 188 5.788 0.580 -0.102 1.00 0.00 T
ATOM 1127 O MOH T 188 3.777 1.473 -0.272 1.00 0.00 T
ATOM 1128 H MOH T 188 4.533 2.003 -0.533 1.00 0.00 T
ATOM 1129 C MOH T 189 4.205 11.521 -3.001 1.00 0.00 T
ATOM 1130 HA MOH T 189 5.184 12.045 -3.040 1.00 0.00 T
ATOM 1131 HB MOH T 189 4.401 10.440 -3.167 1.00 0.00 T
ATOM 1132 HC MOH T 189 3.401 11.943 -3.642 1.00 0.00 T
ATOM 1133 O MOH T 189 3.806 11.665 -1.685 1.00 0.00 T
ATOM 1134 H MOH T 189 2.850 11.576 -1.710 1.00 0.00 T
ATOM 1135 C MOH T 190 -6.993 -5.232 0.576 1.00 0.00 T
ATOM 1136 HA MOH T 190 -6.868 -4.385 -0.132 1.00 0.00 T
ATOM 1137 HB MOH T 190 -6.618 -6.112 0.010 1.00 0.00 T
ATOM 1138 HC MOH T 190 -8.024 -5.307 0.983 1.00 0.00 T
ATOM 1139 O MOH T 190 -6.001 -5.113 1.566 1.00 0.00 T
ATOM 1140 H MOH T 190 -5.661 -6.011 1.554 1.00 0.00 T
ATOM 1141 C MOH T 191 5.442 4.306 -2.019 1.00 0.00 T
ATOM 1142 HA MOH T 191 4.335 4.226 -1.985 1.00 0.00 T
ATOM 1143 HB MOH T 191 5.775 5.178 -1.417 1.00 0.00 T
ATOM 1144 HC MOH T 191 5.906 4.402 -3.024 1.00 0.00 T
ATOM 1145 O MOH T 191 5.800 3.169 -1.250 1.00 0.00 T
ATOM 1146 H MOH T 191 6.754 3.189 -1.352 1.00 0.00 T
ATOM 1147 C MOH T 192 8.681 -4.721 3.354 1.00 0.00 T
ATOM 1148 HA MOH T 192 9.407 -3.896 3.518 1.00 0.00 T
ATOM 1149 HB MOH T 192 9.081 -5.638 3.836 1.00 0.00 T
ATOM 1150 HC MOH T 192 8.505 -4.871 2.267 1.00 0.00 T
ATOM 1151 O MOH T 192 7.431 -4.336 3.948 1.00 0.00 T
ATOM 1152 H MOH T 192 7.096 -5.166 4.293 1.00 0.00 T
ATOM 1153 C MOH T 193 2.792 9.857 9.508 1.00 0.00 T
ATOM 1154 HA MOH T 193 3.845 9.848 9.154 1.00 0.00 T
ATOM 1155 HB MOH T 193 2.337 9.022 8.935 1.00 0.00 T
ATOM 1156 HC MOH T 193 2.294 10.832 9.320 1.00 0.00 T
ATOM 1157 O MOH T 193 2.791 9.568 10.896 1.00 0.00 T
ATOM 1158 H MOH T 193 2.849 8.610 10.910 1.00 0.00 T
ATOM 1159 C MOH T 194 10.542 9.865 -11.008 1.00 0.00 T
ATOM 1160 HA MOH T 194 10.115 10.875 -11.188 1.00 0.00 T
ATOM 1161 HB MOH T 194 11.366 9.610 -11.708 1.00 0.00 T
ATOM 1162 HC MOH T 194 9.716 9.158 -11.236 1.00 0.00 T
ATOM 1163 O MOH T 194 10.852 9.739 -9.627 1.00 0.00 T
ATOM 1164 H MOH T 194 11.550 10.382 -9.486 1.00 0.00 T
ATOM 1165 C MOH T 195 -7.201 9.758 -3.728 1.00 0.00 T
ATOM 1166 HA MOH T 195 -6.756 8.753 -3.892 1.00 0.00 T
ATOM 1167 HB MOH T 195 -8.280 9.676 -3.480 1.00 0.00 T
ATOM 1168 HC MOH T 195 -6.946 10.462 -4.548 1.00 0.00 T
ATOM 1169 O MOH T 195 -6.672 10.388 -2.545 1.00 0.00 T
ATOM 1170 H MOH T 195 -7.026 11.280 -2.523 1.00 0.00 T
ATOM 1171 C MOH T 196 1.999 7.169 4.370 1.00 0.00 T
ATOM 1172 HA MOH T 196 2.845 6.506 4.087 1.00 0.00 T
ATOM 1173 HB MOH T 196 2.349 8.202 4.580 1.00 0.00 T
ATOM 1174 HC MOH T 196 1.527 6.648 5.231 1.00 0.00 T
ATOM 1175 O MOH T 196 1.018 7.242 3.416 1.00 0.00 T
ATOM 1176 H MOH T 196 0.729 6.335 3.293 1.00 0.00 T
ATOM 1177 C MOH T 197 9.746 4.246 3.997 1.00 0.00 T
ATOM 1178 HA MOH T 197 8.988 3.824 3.303 1.00 0.00 T
ATOM 1179 HB MOH T 197 10.664 3.625 3.918 1.00 0.00 T
ATOM 1180 HC MOH T 197 9.330 4.424 5.011 1.00 0.00 T
ATOM 1181 O MOH T 197 10.198 5.502 3.447 1.00 0.00 T
ATOM 1182 H MOH T 197 10.856 5.796 4.081 1.00 0.00 T
ATOM 1183 C MOH T 198 -3.376 -2.502 -8.807 1.00 0.00 T
ATOM 1184 HA MOH T 198 -4.067 -1.730 -9.208 1.00 0.00 T
ATOM 1185 HB MOH T 198 -3.389 -2.373 -7.704 1.00 0.00 T
ATOM 1186 HC MOH T 198 -2.376 -2.270 -9.233 1.00 0.00 T
ATOM 1187 O MOH T 198 -3.873 -3.805 -9.285 1.00 0.00 T
ATOM 1188 H MOH T 198 -4.810 -3.811 -9.077 1.00 0.00 T
ATOM 1189 C MOH T 199 4.613 -11.407 1.519 1.00 0.00 T
ATOM 1190 HA MOH T 199 4.091 -12.384 1.428 1.00 0.00 T
ATOM 1191 HB MOH T 199 5.247 -11.265 2.420 1.00 0.00 T
ATOM 1192 HC MOH T 199 3.782 -10.703 1.738 1.00 0.00 T
ATOM 1193 O MOH T 199 5.222 -11.193 0.239 1.00 0.00 T
ATOM 1194 H MOH T 199 4.674 -11.714 -0.352 1.00 0.00 T
ATOM 1195 C MOH T 200 1.877 1.156 -2.970 1.00 0.00 T
ATOM 1196 HA MOH T 200 1.854 2.205 -2.605 1.00 0.00 T
ATOM 1197 HB MOH T 200 2.844 0.861 -3.430 1.00 0.00 T
ATOM 1198 HC MOH T 200 0.922 1.114 -3.536 1.00 0.00 T
ATOM 1199 O MOH T 200 1.808 0.469 -1.746 1.00 0.00 T
ATOM 1200 H MOH T 200 2.488 0.901 -1.224 1.00 0.00 T
ATOM 1201 C MOH T 201 1.394 -7.152 7.574 1.00 0.00 T
ATOM 1202 HA MOH T 201 0.334 -7.368 7.323 1.00 0.00 T
ATOM 1203 HB MOH T 201 1.991 -7.915 7.029 1.00 0.00 T
ATOM 1204 HC MOH T 201 1.592 -7.336 8.652 1.00 0.00 T
ATOM 1205 O MOH T 201 1.795 -5.930 7.128 1.00 0.00 T
ATOM 1206 H MOH T 201 0.966 -5.572 6.803 1.00 0.00 T
ATOM 1207 C MOH T 202 -3.016 7.150 -4.728 1.00 0.00 T
ATOM 1208 HA MOH T 202 -3.736 6.840 -5.515 1.00 0.00 T
ATOM 1209 HB MOH T 202 -2.410 6.273 -4.415 1.00 0.00 T
ATOM 1210 HC MOH T 202 -3.520 7.557 -3.825 1.00 0.00 T
ATOM 1211 O MOH T 202 -2.103 8.181 -5.019 1.00 0.00 T
ATOM 1212 H MOH T 202 -1.719 7.774 -5.799 1.00 0.00 T
ATOM 1213 C MOH T 203 -4.293 -8.600 0.822 1.00 0.00 T
ATOM 1214 HA MOH T 203 -3.263 -8.540 1.234 1.00 0.00 T
ATOM 1215 HB MOH T 203 -4.711 -9.628 0.784 1.00 0.00 T
ATOM 1216 HC MOH T 203 -4.230 -8.069 -0.152 1.00 0.00 T
ATOM 1217 O MOH T 203 -5.058 -7.764 1.703 1.00 0.00 T
ATOM 1218 H MOH T 203 -5.063 -8.248 2.532 1.00 0.00 T
ATOM 1219 C MOH T 204 -11.244 5.821 6.028 1.00 0.00 T
ATOM 1220 HA MOH T 204 -11.934 5.723 6.893 1.00 0.00 T
ATOM 1221 HB MOH T 204 -10.642 4.893 5.924 1.00 0.00 T
ATOM 1222 HC MOH T 204 -10.500 6.618 6.242 1.00 0.00 T
ATOM 1223 O MOH T 204 -11.979 6.187 4.889 1.00 0.00 T
ATOM 1224 H MOH T 204 -11.305 6.399 4.240 1.00 0.00 T
ATOM 1225 C MOH T 205 1.150 -1.187 -9.535 1.00 0.00 T
ATOM 1226 HA MOH T 205 0.600 -2.134 -9.349 1.00 0.00 T
ATOM 1227 HB MOH T 205 2.210 -1.483 -9.683 1.00 0.00 T
ATOM 1228 HC MOH T 205 1.014 -0.536 -8.644 1.00 0.00 T
ATOM 1229 O MOH T 205 0.484 -0.664 -10.651 1.00 0.00 T
ATOM 1230 H MOH T 205 0.860 -1.253 -11.309 1.00 0.00 T
ATOM 1231 C MOH T 206 -9.793 10.018 4.603 1.00 0.00 T
ATOM 1232 HA MOH T 206 -10.486 9.180 4.834 1.00 0.00 T
ATOM 1233 HB MOH T 206 -8.767 9.600 4.521 1.00 0.00 T
ATOM 1234 HC MOH T 206 -9.814 10.747 5.441 1.00 0.00 T
ATOM 1235 O MOH T 206 -9.877 10.445 3.239 1.00 0.00 T
ATOM 1236 H MOH T 206 -8.961 10.596 2.991 1.00 0.00 T
ATOM 1237 C MOH T 207 -5.643 5.758 7.251 1.00 0.00 T
ATOM 1238 HA MOH T 207 -5.145 5.691 8.242 1.00 0.00 T
ATOM 1239 HB MOH T 207 -5.576 6.849 7.052 1.00 0.00 T
ATOM 1240 HC MOH T 207 -6.667 5.339 7.356 1.00 0.00 T
ATOM 1241 O MOH T 207 -4.947 5.117 6.189 1.00 0.00 T
ATOM 1242 H MOH T 207 -4.060 5.464 6.315 1.00 0.00 T
ATOM 1243 C MOH T 208 11.993 -0.426 -1.198 1.00 0.00 T
ATOM 1244 HA MOH T 208 13.003 -0.828 -0.969 1.00 0.00 T
ATOM 1245 HB MOH T 208 11.322 -1.278 -1.439 1.00 0.00 T
ATOM 1246 HC MOH T 208 12.165 0.288 -2.031 1.00 0.00 T
ATOM 1247 O MOH T 208 11.586 0.261 -0.063 1.00 0.00 T
ATOM 1248 H MOH T 208 12.319 0.859 0.100 1.00 0.00 T
ATOM 1249 C MOH T 209 4.931 -5.037 7.282 1.00 0.00 T
ATOM 1250 HA MOH T 209 4.201 -4.744 8.067 1.00 0.00 T
ATOM 1251 HB MOH T 209 5.778 -5.603 7.727 1.00 0.00 T
ATOM 1252 HC MOH T 209 5.289 -4.112 6.782 1.00 0.00 T
ATOM 1253 O MOH T 209 4.257 -5.931 6.414 1.00 0.00 T
ATOM 1254 H MOH T 209 3.336 -5.990 6.675 1.00 0.00 T
ATOM 1255 C MOH T 210 1.425 -5.108 -5.808 1.00 0.00 T
ATOM 1256 HA MOH T 210 1.108 -5.668 -6.714 1.00 0.00 T
ATOM 1257 HB MOH T 210 0.854 -4.155 -5.837 1.00 0.00 T
ATOM 1258 HC MOH T 210 2.524 -4.946 -5.796 1.00 0.00 T
ATOM 1259 O MOH T 210 1.021 -5.731 -4.660 1.00 0.00 T
ATOM 1260 H MOH T 210 0.085 -5.825 -4.852 1.00 0.00 T
ATOM 1261 C MOH T 211 -0.997 -2.801 6.985 1.00 0.00 T
ATOM 1262 HA MOH T 211 -0.158 -2.123 7.251 1.00 0.00 T
ATOM 1263 HB MOH T 211 -1.544 -2.453 6.084 1.00 0.00 T
ATOM 1264 HC MOH T 211 -1.688 -2.780 7.855 1.00 0.00 T
ATOM 1265 O MOH T 211 -0.628 -4.108 6.787 1.00 0.00 T
ATOM 1266 H MOH T 211 -1.187 -4.395 6.061 1.00 0.00 T
ATOM 1267 C MOH T 212 -2.476 11.921 0.272 1.00 0.00 T
ATOM 1268 HA MOH T 212 -3.266 12.621 -0.075 1.00 0.00 T
ATOM 1269 HB MOH T 212 -2.902 10.910 0.103 1.00 0.00 T
ATOM 1270 HC MOH T 212 -2.182 12.159 1.316 1.00 0.00 T
ATOM 1271 O MOH T 212 -1.443 12.063 -0.655 1.00 0.00 T
ATOM 1272 H MOH T 212 -1.880 12.178 -1.502 1.00 0.00 T
ATOM 1273 C MOH T 213 -0.863 11.183 11.339 1.00 0.00 T
ATOM 1274 HA MOH T 213 -1.895 11.567 11.193 1.00 0.00 T
ATOM 1275 HB MOH T 213 -0.309 11.185 10.376 1.00 0.00 T
ATOM 1276 HC MOH T 213 -1.026 10.123 11.630 1.00 0.00 T
ATOM 1277 O MOH T 213 -0.466 12.184 12.291 1.00 0.00 T
ATOM 1278 H MOH T 213 0.430 11.934 12.526 1.00 0.00 T
ATOM 1279 C MOH T 214 -8.426 -4.299 11.187 1.00 0.00 T
ATOM 1280 HA MOH T 214 -8.698 -5.376 11.212 1.00 0.00 T
ATOM 1281 HB MOH T 214 -7.754 -4.194 10.309 1.00 0.00 T
ATOM 1282 HC MOH T 214 -7.937 -4.057 12.155 1.00 0.00 T
ATOM 1283 O MOH T 214 -9.524 -3.457 10.820 1.00 0.00 T
ATOM 1284 H MOH T 214 -9.775 -3.784 9.953 1.00 0.00 T
ATOM 1285 C MOH T 215 8.294 2.722 -7.860 1.00 0.00 T
ATOM 1286 HA MOH T 215 7.290 3.137 -8.094 1.00 0.00 T
ATOM 1287 HB MOH T 215 9.156 3.300 -8.255 1.00 0.00 T
ATOM 1288 HC MOH T 215 8.373 1.648 -8.133 1.00 0.00 T
ATOM 1289 O MOH T 215 8.439 2.867 -6.465 1.00 0.00 T
ATOM 1290 H MOH T 215 7.739 2.279 -6.172 1.00 0.00 T
ATOM 1291 K POT T 216 0.000 0.000 0.000 1.00 0.00 T
END
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