PSF 1 !NTITLE REMARKS original generated structure x-plor psf file 447 !NATOM 1 NT22 1 ARM C000 CA 0.000000 12.0110 0 2 NT22 1 ARM C001 CA 0.000000 12.0110 0 3 NT22 1 ARM C002 CA 0.000000 12.0110 0 4 NT22 1 ARM C003 CA 0.000000 12.0110 0 5 NT22 1 ARM C004 CA 0.000000 12.0110 0 6 NT22 1 ARM C005 CA 0.000000 12.0110 0 7 NT22 1 ARM C006 CA 0.000000 12.0110 0 8 NT22 1 ARM C007 CA 0.000000 12.0110 0 9 NT22 1 ARM C008 CA 0.000000 12.0110 0 10 NT22 1 ARM C009 CA 0.000000 12.0110 0 11 NT22 1 ARM C010 CA 0.000000 12.0110 0 12 NT22 1 ARM C011 CA 0.000000 12.0110 0 13 NT22 1 ARM C012 CA 0.000000 12.0110 0 14 NT22 1 ARM C013 CA 0.000000 12.0110 0 15 NT22 1 ARM C014 CA 0.000000 12.0110 0 16 NT22 1 ARM C015 CA 0.000000 12.0110 0 17 NT22 1 ARM C016 CA 0.000000 12.0110 0 18 NT22 1 ARM C017 CA 0.000000 12.0110 0 19 NT22 1 ARM C018 CA 0.000000 12.0110 0 20 NT22 1 ARM C019 CA 0.000000 12.0110 0 21 NT22 1 ARM C020 CA 0.000000 12.0110 0 22 NT22 1 ARM C021 CA 0.000000 12.0110 0 23 NT22 1 ARM C022 CA 0.000000 12.0110 0 24 NT22 1 ARM C023 CA 0.000000 12.0110 0 25 NT22 1 ARM C024 CA 0.000000 12.0110 0 26 NT22 1 ARM C025 CA 0.000000 12.0110 0 27 NT22 1 ARM C026 CA 0.000000 12.0110 0 28 NT22 1 ARM C027 CA 0.000000 12.0110 0 29 NT22 1 ARM C028 CA 0.000000 12.0110 0 30 NT22 1 ARM C029 CA 0.000000 12.0110 0 31 NT22 1 ARM C030 CA 0.000000 12.0110 0 32 NT22 1 ARM C031 CA 0.000000 12.0110 0 33 NT22 1 ARM C032 CA 0.000000 12.0110 0 34 NT22 1 ARM C033 CA 0.000000 12.0110 0 35 NT22 1 ARM C034 CA 0.000000 12.0110 0 36 NT22 1 ARM C035 CA 0.000000 12.0110 0 37 NT22 1 ARM C036 CA 0.000000 12.0110 0 38 NT22 1 ARM C037 CA 0.000000 12.0110 0 39 NT22 1 ARM C038 CA 0.000000 12.0110 0 40 NT22 1 ARM C039 CA 0.000000 12.0110 0 41 NT22 1 ARM C040 CA 0.000000 12.0110 0 42 NT22 1 ARM C041 CA 0.000000 12.0110 0 43 NT22 1 ARM C042 CA 0.000000 12.0110 0 44 NT22 1 ARM C043 CA 0.000000 12.0110 0 45 NT22 1 ARM C044 CA 0.000000 12.0110 0 46 NT22 1 ARM C045 CA 0.000000 12.0110 0 47 NT22 1 ARM C046 CA 0.000000 12.0110 0 48 NT22 1 ARM C047 CA 0.000000 12.0110 0 49 NT22 1 ARM C048 CA 0.000000 12.0110 0 50 NT22 1 ARM C049 CA 0.000000 12.0110 0 51 NT22 1 ARM C050 CA 0.000000 12.0110 0 52 NT22 1 ARM C051 CA 0.000000 12.0110 0 53 NT22 1 ARM C052 CA 0.000000 12.0110 0 54 NT22 1 ARM C053 CA 0.000000 12.0110 0 55 NT22 1 ARM C054 CA 0.000000 12.0110 0 56 NT22 1 ARM C055 CA 0.000000 12.0110 0 57 NT22 1 ARM C056 CA 0.000000 12.0110 0 58 NT22 1 ARM C057 CA 0.000000 12.0110 0 59 NT22 1 ARM C058 CA 0.000000 12.0110 0 60 NT22 1 ARM C059 CA 0.000000 12.0110 0 61 NT22 1 ARM C060 CA 0.000000 12.0110 0 62 NT22 1 ARM C061 CA 0.000000 12.0110 0 63 NT22 1 ARM C062 CA 0.000000 12.0110 0 64 NT22 1 ARM C063 CA 0.000000 12.0110 0 65 NT22 1 ARM C064 CA 0.000000 12.0110 0 66 NT22 1 ARM C065 CA 0.000000 12.0110 0 67 NT22 1 ARM C066 CA 0.000000 12.0110 0 68 NT22 1 ARM C067 CA 0.000000 12.0110 0 69 NT22 1 ARM C068 CA 0.000000 12.0110 0 70 NT22 1 ARM C069 CA 0.000000 12.0110 0 71 NT22 1 ARM C070 CA 0.000000 12.0110 0 72 NT22 1 ARM C071 CA 0.000000 12.0110 0 73 NT22 1 ARM C072 CA 0.000000 12.0110 0 74 NT22 1 ARM C073 CA 0.000000 12.0110 0 75 NT22 1 ARM C074 CA 0.000000 12.0110 0 76 NT22 1 ARM C075 CA 0.000000 12.0110 0 77 NT22 1 ARM C076 CA 0.000000 12.0110 0 78 NT22 1 ARM C077 CA 0.000000 12.0110 0 79 NT22 1 ARM C078 CA 0.000000 12.0110 0 80 NT22 1 ARM C079 CA 0.000000 12.0110 0 81 NT22 1 ARM C080 CA 0.000000 12.0110 0 82 NT22 1 ARM C081 CA 0.000000 12.0110 0 83 NT22 1 ARM C082 CA 0.000000 12.0110 0 84 NT22 1 ARM C083 CA 0.000000 12.0110 0 85 NT22 1 ARM C084 CA 0.000000 12.0110 0 86 NT22 1 ARM C085 CA 0.000000 12.0110 0 87 NT22 1 ARM C086 CA 0.000000 12.0110 0 88 NT22 1 ARM C087 CA 0.000000 12.0110 0 89 NT22 1 ARM C088 CA 0.000000 12.0110 0 90 NT22 1 ARM C089 CA 0.000000 12.0110 0 91 NT22 1 ARM C090 CA 0.000000 12.0110 0 92 NT22 1 ARM C091 CA 0.000000 12.0110 0 93 NT22 1 ARM C092 CA 0.000000 12.0110 0 94 NT22 1 ARM C093 CA 0.000000 12.0110 0 95 NT22 1 ARM C094 CA 0.000000 12.0110 0 96 NT22 1 ARM C095 CA 0.000000 12.0110 0 97 NT22 1 ARM C096 CA 0.000000 12.0110 0 98 NT22 1 ARM C097 CA 0.000000 12.0110 0 99 NT22 1 ARM C098 CA 0.000000 12.0110 0 100 NT22 1 ARM C099 CA 0.000000 12.0110 0 101 NT22 1 ARM C100 CA 0.000000 12.0110 0 102 NT22 1 ARM C101 CA 0.000000 12.0110 0 103 NT22 1 ARM C102 CA 0.000000 12.0110 0 104 NT22 1 ARM C103 CA 0.000000 12.0110 0 105 NT22 1 ARM C104 CA 0.000000 12.0110 0 106 NT22 1 ARM C105 CA 0.000000 12.0110 0 107 NT22 1 ARM C106 CA 0.000000 12.0110 0 108 NT22 1 ARM C107 CA 0.000000 12.0110 0 109 NT22 1 ARM C108 CA 0.000000 12.0110 0 110 NT22 1 ARM C109 CA 0.000000 12.0110 0 111 NT22 1 ARM C110 CA 0.000000 12.0110 0 112 NT22 1 ARM C111 CA 0.000000 12.0110 0 113 NT22 1 ARM C112 CA 0.000000 12.0110 0 114 NT22 1 ARM C113 CA 0.000000 12.0110 0 115 NT22 1 ARM C114 CA 0.000000 12.0110 0 116 NT22 1 ARM C115 CA 0.000000 12.0110 0 117 NT22 1 ARM C116 CA 0.000000 12.0110 0 118 NT22 1 ARM C117 CA 0.000000 12.0110 0 119 NT22 1 ARM C118 CA 0.000000 12.0110 0 120 NT22 1 ARM C119 CA 0.000000 12.0110 0 121 NT22 1 ARM C120 CA 0.000000 12.0110 0 122 NT22 1 ARM C121 CA 0.000000 12.0110 0 123 NT22 1 ARM C122 CA 0.000000 12.0110 0 124 NT22 1 ARM C123 CA 0.000000 12.0110 0 125 NT22 1 ARM C124 CA 0.000000 12.0110 0 126 NT22 1 ARM C125 CA 0.000000 12.0110 0 127 NT22 1 ARM C126 CA 0.000000 12.0110 0 128 NT22 1 ARM C127 CA 0.000000 12.0110 0 129 NT22 1 ARM C128 CA 0.000000 12.0110 0 130 NT22 1 ARM C129 CA 0.000000 12.0110 0 131 NT22 1 ARM C130 CA 0.000000 12.0110 0 132 NT22 1 ARM C131 CA 0.000000 12.0110 0 133 NT22 1 ARM C132 CA 0.000000 12.0110 0 134 NT22 1 ARM C133 CA 0.000000 12.0110 0 135 NT22 1 ARM C134 CA 0.000000 12.0110 0 136 NT22 1 ARM C135 CA 0.000000 12.0110 0 137 NT22 1 ARM C136 CA 0.000000 12.0110 0 138 NT22 1 ARM C137 CA 0.000000 12.0110 0 139 NT22 1 ARM C138 CA 0.000000 12.0110 0 140 NT22 1 ARM C139 CA 0.000000 12.0110 0 141 NT22 1 ARM C140 CA 0.000000 12.0110 0 142 NT22 1 ARM C141 CA 0.000000 12.0110 0 143 NT22 1 ARM C142 CA 0.000000 12.0110 0 144 NT22 1 ARM C143 CA 0.000000 12.0110 0 145 BOX1 245 TIP3 OH2 OT -0.834000 15.9994 0 146 BOX1 245 TIP3 H1 HT 0.417000 1.0080 0 147 BOX1 245 TIP3 H2 HT 0.417000 1.0080 0 148 BOX1 330 TIP3 OH2 OT -0.834000 15.9994 0 149 BOX1 330 TIP3 H1 HT 0.417000 1.0080 0 150 BOX1 330 TIP3 H2 HT 0.417000 1.0080 0 151 BOX1 1387 TIP3 OH2 OT -0.834000 15.9994 0 152 BOX1 1387 TIP3 H1 HT 0.417000 1.0080 0 153 BOX1 1387 TIP3 H2 HT 0.417000 1.0080 0 154 BOX1 5639 TIP3 OH2 OT -0.834000 15.9994 0 155 BOX1 5639 TIP3 H1 HT 0.417000 1.0080 0 156 BOX1 5639 TIP3 H2 HT 0.417000 1.0080 0 157 BOX1 5897 TIP3 OH2 OT -0.834000 15.9994 0 158 BOX1 5897 TIP3 H1 HT 0.417000 1.0080 0 159 BOX1 5897 TIP3 H2 HT 0.417000 1.0080 0 160 BOX1 5928 TIP3 OH2 OT -0.834000 15.9994 0 161 BOX1 5928 TIP3 H1 HT 0.417000 1.0080 0 162 BOX1 5928 TIP3 H2 HT 0.417000 1.0080 0 163 BOX1 5977 TIP3 OH2 OT -0.834000 15.9994 0 164 BOX1 5977 TIP3 H1 HT 0.417000 1.0080 0 165 BOX1 5977 TIP3 H2 HT 0.417000 1.0080 0 166 BOX1 5981 TIP3 OH2 OT -0.834000 15.9994 0 167 BOX1 5981 TIP3 H1 HT 0.417000 1.0080 0 168 BOX1 5981 TIP3 H2 HT 0.417000 1.0080 0 169 BOX1 6027 TIP3 OH2 OT -0.834000 15.9994 0 170 BOX1 6027 TIP3 H1 HT 0.417000 1.0080 0 171 BOX1 6027 TIP3 H2 HT 0.417000 1.0080 0 172 BOX1 6034 TIP3 OH2 OT -0.834000 15.9994 0 173 BOX1 6034 TIP3 H1 HT 0.417000 1.0080 0 174 BOX1 6034 TIP3 H2 HT 0.417000 1.0080 0 175 BOX1 6539 TIP3 OH2 OT -0.834000 15.9994 0 176 BOX1 6539 TIP3 H1 HT 0.417000 1.0080 0 177 BOX1 6539 TIP3 H2 HT 0.417000 1.0080 0 178 BOX1 6546 TIP3 OH2 OT -0.834000 15.9994 0 179 BOX1 6546 TIP3 H1 HT 0.417000 1.0080 0 180 BOX1 6546 TIP3 H2 HT 0.417000 1.0080 0 181 BOX1 6728 TIP3 OH2 OT -0.834000 15.9994 0 182 BOX1 6728 TIP3 H1 HT 0.417000 1.0080 0 183 BOX1 6728 TIP3 H2 HT 0.417000 1.0080 0 184 BOX1 7185 TIP3 OH2 OT -0.834000 15.9994 0 185 BOX1 7185 TIP3 H1 HT 0.417000 1.0080 0 186 BOX1 7185 TIP3 H2 HT 0.417000 1.0080 0 187 BOX1 7265 TIP3 OH2 OT -0.834000 15.9994 0 188 BOX1 7265 TIP3 H1 HT 0.417000 1.0080 0 189 BOX1 7265 TIP3 H2 HT 0.417000 1.0080 0 190 BOX1 7352 TIP3 OH2 OT -0.834000 15.9994 0 191 BOX1 7352 TIP3 H1 HT 0.417000 1.0080 0 192 BOX1 7352 TIP3 H2 HT 0.417000 1.0080 0 193 BOX1 7408 TIP3 OH2 OT -0.834000 15.9994 0 194 BOX1 7408 TIP3 H1 HT 0.417000 1.0080 0 195 BOX1 7408 TIP3 H2 HT 0.417000 1.0080 0 196 BOX1 7441 TIP3 OH2 OT -0.834000 15.9994 0 197 BOX1 7441 TIP3 H1 HT 0.417000 1.0080 0 198 BOX1 7441 TIP3 H2 HT 0.417000 1.0080 0 199 BOX1 7512 TIP3 OH2 OT -0.834000 15.9994 0 200 BOX1 7512 TIP3 H1 HT 0.417000 1.0080 0 201 BOX1 7512 TIP3 H2 HT 0.417000 1.0080 0 202 BOX1 7965 TIP3 OH2 OT -0.834000 15.9994 0 203 BOX1 7965 TIP3 H1 HT 0.417000 1.0080 0 204 BOX1 7965 TIP3 H2 HT 0.417000 1.0080 0 205 BOX1 7999 TIP3 OH2 OT -0.834000 15.9994 0 206 BOX1 7999 TIP3 H1 HT 0.417000 1.0080 0 207 BOX1 7999 TIP3 H2 HT 0.417000 1.0080 0 208 BOX1 8059 TIP3 OH2 OT -0.834000 15.9994 0 209 BOX1 8059 TIP3 H1 HT 0.417000 1.0080 0 210 BOX1 8059 TIP3 H2 HT 0.417000 1.0080 0 211 BOX1 8169 TIP3 OH2 OT -0.834000 15.9994 0 212 BOX1 8169 TIP3 H1 HT 0.417000 1.0080 0 213 BOX1 8169 TIP3 H2 HT 0.417000 1.0080 0 214 BOX1 8170 TIP3 OH2 OT -0.834000 15.9994 0 215 BOX1 8170 TIP3 H1 HT 0.417000 1.0080 0 216 BOX1 8170 TIP3 H2 HT 0.417000 1.0080 0 217 BOX1 8381 TIP3 OH2 OT -0.834000 15.9994 0 218 BOX1 8381 TIP3 H1 HT 0.417000 1.0080 0 219 BOX1 8381 TIP3 H2 HT 0.417000 1.0080 0 220 BOX1 8410 TIP3 OH2 OT -0.834000 15.9994 0 221 BOX1 8410 TIP3 H1 HT 0.417000 1.0080 0 222 BOX1 8410 TIP3 H2 HT 0.417000 1.0080 0 223 BOX1 8639 TIP3 OH2 OT -0.834000 15.9994 0 224 BOX1 8639 TIP3 H1 HT 0.417000 1.0080 0 225 BOX1 8639 TIP3 H2 HT 0.417000 1.0080 0 226 BOX1 8832 TIP3 OH2 OT -0.834000 15.9994 0 227 BOX1 8832 TIP3 H1 HT 0.417000 1.0080 0 228 BOX1 8832 TIP3 H2 HT 0.417000 1.0080 0 229 BOX1 8984 TIP3 OH2 OT -0.834000 15.9994 0 230 BOX1 8984 TIP3 H1 HT 0.417000 1.0080 0 231 BOX1 8984 TIP3 H2 HT 0.417000 1.0080 0 232 BOX1 9002 TIP3 OH2 OT -0.834000 15.9994 0 233 BOX1 9002 TIP3 H1 HT 0.417000 1.0080 0 234 BOX1 9002 TIP3 H2 HT 0.417000 1.0080 0 235 BOX1 9608 TIP3 OH2 OT -0.834000 15.9994 0 236 BOX1 9608 TIP3 H1 HT 0.417000 1.0080 0 237 BOX1 9608 TIP3 H2 HT 0.417000 1.0080 0 238 BOX1 9919 TIP3 OH2 OT -0.834000 15.9994 0 239 BOX1 9919 TIP3 H1 HT 0.417000 1.0080 0 240 BOX1 9919 TIP3 H2 HT 0.417000 1.0080 0 241 BOX1 9979 TIP3 OH2 OT -0.834000 15.9994 0 242 BOX1 9979 TIP3 H1 HT 0.417000 1.0080 0 243 BOX1 9979 TIP3 H2 HT 0.417000 1.0080 0 244 BOX2 92 TIP3 OH2 OT -0.834000 15.9994 0 245 BOX2 92 TIP3 H1 HT 0.417000 1.0080 0 246 BOX2 92 TIP3 H2 HT 0.417000 1.0080 0 247 BOX2 461 TIP3 OH2 OT -0.834000 15.9994 0 248 BOX2 461 TIP3 H1 HT 0.417000 1.0080 0 249 BOX2 461 TIP3 H2 HT 0.417000 1.0080 0 250 BOX2 491 TIP3 OH2 OT -0.834000 15.9994 0 251 BOX2 491 TIP3 H1 HT 0.417000 1.0080 0 252 BOX2 491 TIP3 H2 HT 0.417000 1.0080 0 253 BOX2 574 TIP3 OH2 OT -0.834000 15.9994 0 254 BOX2 574 TIP3 H1 HT 0.417000 1.0080 0 255 BOX2 574 TIP3 H2 HT 0.417000 1.0080 0 256 BOX2 633 TIP3 OH2 OT -0.834000 15.9994 0 257 BOX2 633 TIP3 H1 HT 0.417000 1.0080 0 258 BOX2 633 TIP3 H2 HT 0.417000 1.0080 0 259 BOX2 635 TIP3 OH2 OT -0.834000 15.9994 0 260 BOX2 635 TIP3 H1 HT 0.417000 1.0080 0 261 BOX2 635 TIP3 H2 HT 0.417000 1.0080 0 262 BOX2 799 TIP3 OH2 OT -0.834000 15.9994 0 263 BOX2 799 TIP3 H1 HT 0.417000 1.0080 0 264 BOX2 799 TIP3 H2 HT 0.417000 1.0080 0 265 BOX2 817 TIP3 OH2 OT -0.834000 15.9994 0 266 BOX2 817 TIP3 H1 HT 0.417000 1.0080 0 267 BOX2 817 TIP3 H2 HT 0.417000 1.0080 0 268 BOX2 828 TIP3 OH2 OT -0.834000 15.9994 0 269 BOX2 828 TIP3 H1 HT 0.417000 1.0080 0 270 BOX2 828 TIP3 H2 HT 0.417000 1.0080 0 271 BOX2 852 TIP3 OH2 OT -0.834000 15.9994 0 272 BOX2 852 TIP3 H1 HT 0.417000 1.0080 0 273 BOX2 852 TIP3 H2 HT 0.417000 1.0080 0 274 BOX2 1012 TIP3 OH2 OT -0.834000 15.9994 0 275 BOX2 1012 TIP3 H1 HT 0.417000 1.0080 0 276 BOX2 1012 TIP3 H2 HT 0.417000 1.0080 0 277 BOX2 1140 TIP3 OH2 OT -0.834000 15.9994 0 278 BOX2 1140 TIP3 H1 HT 0.417000 1.0080 0 279 BOX2 1140 TIP3 H2 HT 0.417000 1.0080 0 280 BOX2 1150 TIP3 OH2 OT -0.834000 15.9994 0 281 BOX2 1150 TIP3 H1 HT 0.417000 1.0080 0 282 BOX2 1150 TIP3 H2 HT 0.417000 1.0080 0 283 BOX2 1236 TIP3 OH2 OT -0.834000 15.9994 0 284 BOX2 1236 TIP3 H1 HT 0.417000 1.0080 0 285 BOX2 1236 TIP3 H2 HT 0.417000 1.0080 0 286 BOX2 1256 TIP3 OH2 OT -0.834000 15.9994 0 287 BOX2 1256 TIP3 H1 HT 0.417000 1.0080 0 288 BOX2 1256 TIP3 H2 HT 0.417000 1.0080 0 289 BOX2 1274 TIP3 OH2 OT -0.834000 15.9994 0 290 BOX2 1274 TIP3 H1 HT 0.417000 1.0080 0 291 BOX2 1274 TIP3 H2 HT 0.417000 1.0080 0 292 BOX2 1492 TIP3 OH2 OT -0.834000 15.9994 0 293 BOX2 1492 TIP3 H1 HT 0.417000 1.0080 0 294 BOX2 1492 TIP3 H2 HT 0.417000 1.0080 0 295 BOX2 1514 TIP3 OH2 OT -0.834000 15.9994 0 296 BOX2 1514 TIP3 H1 HT 0.417000 1.0080 0 297 BOX2 1514 TIP3 H2 HT 0.417000 1.0080 0 298 BOX2 1527 TIP3 OH2 OT -0.834000 15.9994 0 299 BOX2 1527 TIP3 H1 HT 0.417000 1.0080 0 300 BOX2 1527 TIP3 H2 HT 0.417000 1.0080 0 301 BOX2 1529 TIP3 OH2 OT -0.834000 15.9994 0 302 BOX2 1529 TIP3 H1 HT 0.417000 1.0080 0 303 BOX2 1529 TIP3 H2 HT 0.417000 1.0080 0 304 BOX2 1575 TIP3 OH2 OT -0.834000 15.9994 0 305 BOX2 1575 TIP3 H1 HT 0.417000 1.0080 0 306 BOX2 1575 TIP3 H2 HT 0.417000 1.0080 0 307 BOX2 1603 TIP3 OH2 OT -0.834000 15.9994 0 308 BOX2 1603 TIP3 H1 HT 0.417000 1.0080 0 309 BOX2 1603 TIP3 H2 HT 0.417000 1.0080 0 310 BOX2 1606 TIP3 OH2 OT -0.834000 15.9994 0 311 BOX2 1606 TIP3 H1 HT 0.417000 1.0080 0 312 BOX2 1606 TIP3 H2 HT 0.417000 1.0080 0 313 BOX2 1664 TIP3 OH2 OT -0.834000 15.9994 0 314 BOX2 1664 TIP3 H1 HT 0.417000 1.0080 0 315 BOX2 1664 TIP3 H2 HT 0.417000 1.0080 0 316 BOX2 1722 TIP3 OH2 OT -0.834000 15.9994 0 317 BOX2 1722 TIP3 H1 HT 0.417000 1.0080 0 318 BOX2 1722 TIP3 H2 HT 0.417000 1.0080 0 319 BOX2 2066 TIP3 OH2 OT -0.834000 15.9994 0 320 BOX2 2066 TIP3 H1 HT 0.417000 1.0080 0 321 BOX2 2066 TIP3 H2 HT 0.417000 1.0080 0 322 BOX2 2166 TIP3 OH2 OT -0.834000 15.9994 0 323 BOX2 2166 TIP3 H1 HT 0.417000 1.0080 0 324 BOX2 2166 TIP3 H2 HT 0.417000 1.0080 0 325 BOX2 2228 TIP3 OH2 OT -0.834000 15.9994 0 326 BOX2 2228 TIP3 H1 HT 0.417000 1.0080 0 327 BOX2 2228 TIP3 H2 HT 0.417000 1.0080 0 328 BOX2 2372 TIP3 OH2 OT -0.834000 15.9994 0 329 BOX2 2372 TIP3 H1 HT 0.417000 1.0080 0 330 BOX2 2372 TIP3 H2 HT 0.417000 1.0080 0 331 BOX2 2644 TIP3 OH2 OT -0.834000 15.9994 0 332 BOX2 2644 TIP3 H1 HT 0.417000 1.0080 0 333 BOX2 2644 TIP3 H2 HT 0.417000 1.0080 0 334 BOX2 2733 TIP3 OH2 OT -0.834000 15.9994 0 335 BOX2 2733 TIP3 H1 HT 0.417000 1.0080 0 336 BOX2 2733 TIP3 H2 HT 0.417000 1.0080 0 337 BOX2 2777 TIP3 OH2 OT -0.834000 15.9994 0 338 BOX2 2777 TIP3 H1 HT 0.417000 1.0080 0 339 BOX2 2777 TIP3 H2 HT 0.417000 1.0080 0 340 BOX2 2780 TIP3 OH2 OT -0.834000 15.9994 0 341 BOX2 2780 TIP3 H1 HT 0.417000 1.0080 0 342 BOX2 2780 TIP3 H2 HT 0.417000 1.0080 0 343 BOX2 3089 TIP3 OH2 OT -0.834000 15.9994 0 344 BOX2 3089 TIP3 H1 HT 0.417000 1.0080 0 345 BOX2 3089 TIP3 H2 HT 0.417000 1.0080 0 346 BOX2 3156 TIP3 OH2 OT -0.834000 15.9994 0 347 BOX2 3156 TIP3 H1 HT 0.417000 1.0080 0 348 BOX2 3156 TIP3 H2 HT 0.417000 1.0080 0 349 BOX2 3266 TIP3 OH2 OT -0.834000 15.9994 0 350 BOX2 3266 TIP3 H1 HT 0.417000 1.0080 0 351 BOX2 3266 TIP3 H2 HT 0.417000 1.0080 0 352 BOX2 3600 TIP3 OH2 OT -0.834000 15.9994 0 353 BOX2 3600 TIP3 H1 HT 0.417000 1.0080 0 354 BOX2 3600 TIP3 H2 HT 0.417000 1.0080 0 355 BOX2 3616 TIP3 OH2 OT -0.834000 15.9994 0 356 BOX2 3616 TIP3 H1 HT 0.417000 1.0080 0 357 BOX2 3616 TIP3 H2 HT 0.417000 1.0080 0 358 BOX2 3681 TIP3 OH2 OT -0.834000 15.9994 0 359 BOX2 3681 TIP3 H1 HT 0.417000 1.0080 0 360 BOX2 3681 TIP3 H2 HT 0.417000 1.0080 0 361 BOX2 3829 TIP3 OH2 OT -0.834000 15.9994 0 362 BOX2 3829 TIP3 H1 HT 0.417000 1.0080 0 363 BOX2 3829 TIP3 H2 HT 0.417000 1.0080 0 364 BOX2 3960 TIP3 OH2 OT -0.834000 15.9994 0 365 BOX2 3960 TIP3 H1 HT 0.417000 1.0080 0 366 BOX2 3960 TIP3 H2 HT 0.417000 1.0080 0 367 BOX2 4409 TIP3 OH2 OT -0.834000 15.9994 0 368 BOX2 4409 TIP3 H1 HT 0.417000 1.0080 0 369 BOX2 4409 TIP3 H2 HT 0.417000 1.0080 0 370 BOX2 4572 TIP3 OH2 OT -0.834000 15.9994 0 371 BOX2 4572 TIP3 H1 HT 0.417000 1.0080 0 372 BOX2 4572 TIP3 H2 HT 0.417000 1.0080 0 373 BOX2 4766 TIP3 OH2 OT -0.834000 15.9994 0 374 BOX2 4766 TIP3 H1 HT 0.417000 1.0080 0 375 BOX2 4766 TIP3 H2 HT 0.417000 1.0080 0 376 BOX2 5218 TIP3 OH2 OT -0.834000 15.9994 0 377 BOX2 5218 TIP3 H1 HT 0.417000 1.0080 0 378 BOX2 5218 TIP3 H2 HT 0.417000 1.0080 0 379 BOX2 5223 TIP3 OH2 OT -0.834000 15.9994 0 380 BOX2 5223 TIP3 H1 HT 0.417000 1.0080 0 381 BOX2 5223 TIP3 H2 HT 0.417000 1.0080 0 382 BOX2 5337 TIP3 OH2 OT -0.834000 15.9994 0 383 BOX2 5337 TIP3 H1 HT 0.417000 1.0080 0 384 BOX2 5337 TIP3 H2 HT 0.417000 1.0080 0 385 BOX2 5409 TIP3 OH2 OT -0.834000 15.9994 0 386 BOX2 5409 TIP3 H1 HT 0.417000 1.0080 0 387 BOX2 5409 TIP3 H2 HT 0.417000 1.0080 0 388 BOX2 5423 TIP3 OH2 OT -0.834000 15.9994 0 389 BOX2 5423 TIP3 H1 HT 0.417000 1.0080 0 390 BOX2 5423 TIP3 H2 HT 0.417000 1.0080 0 391 BOX2 5443 TIP3 OH2 OT -0.834000 15.9994 0 392 BOX2 5443 TIP3 H1 HT 0.417000 1.0080 0 393 BOX2 5443 TIP3 H2 HT 0.417000 1.0080 0 394 BOX2 5444 TIP3 OH2 OT -0.834000 15.9994 0 395 BOX2 5444 TIP3 H1 HT 0.417000 1.0080 0 396 BOX2 5444 TIP3 H2 HT 0.417000 1.0080 0 397 BOX2 5642 TIP3 OH2 OT -0.834000 15.9994 0 398 BOX2 5642 TIP3 H1 HT 0.417000 1.0080 0 399 BOX2 5642 TIP3 H2 HT 0.417000 1.0080 0 400 BOX2 5645 TIP3 OH2 OT -0.834000 15.9994 0 401 BOX2 5645 TIP3 H1 HT 0.417000 1.0080 0 402 BOX2 5645 TIP3 H2 HT 0.417000 1.0080 0 403 BOX2 5781 TIP3 OH2 OT -0.834000 15.9994 0 404 BOX2 5781 TIP3 H1 HT 0.417000 1.0080 0 405 BOX2 5781 TIP3 H2 HT 0.417000 1.0080 0 406 BOX2 5980 TIP3 OH2 OT -0.834000 15.9994 0 407 BOX2 5980 TIP3 H1 HT 0.417000 1.0080 0 408 BOX2 5980 TIP3 H2 HT 0.417000 1.0080 0 409 BOX2 6951 TIP3 OH2 OT -0.834000 15.9994 0 410 BOX2 6951 TIP3 H1 HT 0.417000 1.0080 0 411 BOX2 6951 TIP3 H2 HT 0.417000 1.0080 0 412 BOX2 6979 TIP3 OH2 OT -0.834000 15.9994 0 413 BOX2 6979 TIP3 H1 HT 0.417000 1.0080 0 414 BOX2 6979 TIP3 H2 HT 0.417000 1.0080 0 415 BOX2 7034 TIP3 OH2 OT -0.834000 15.9994 0 416 BOX2 7034 TIP3 H1 HT 0.417000 1.0080 0 417 BOX2 7034 TIP3 H2 HT 0.417000 1.0080 0 418 BOX2 7176 TIP3 OH2 OT -0.834000 15.9994 0 419 BOX2 7176 TIP3 H1 HT 0.417000 1.0080 0 420 BOX2 7176 TIP3 H2 HT 0.417000 1.0080 0 421 BOX2 7493 TIP3 OH2 OT -0.834000 15.9994 0 422 BOX2 7493 TIP3 H1 HT 0.417000 1.0080 0 423 BOX2 7493 TIP3 H2 HT 0.417000 1.0080 0 424 BOX2 7654 TIP3 OH2 OT -0.834000 15.9994 0 425 BOX2 7654 TIP3 H1 HT 0.417000 1.0080 0 426 BOX2 7654 TIP3 H2 HT 0.417000 1.0080 0 427 BOX2 8123 TIP3 OH2 OT -0.834000 15.9994 0 428 BOX2 8123 TIP3 H1 HT 0.417000 1.0080 0 429 BOX2 8123 TIP3 H2 HT 0.417000 1.0080 0 430 BOX2 8604 TIP3 OH2 OT -0.834000 15.9994 0 431 BOX2 8604 TIP3 H1 HT 0.417000 1.0080 0 432 BOX2 8604 TIP3 H2 HT 0.417000 1.0080 0 433 BOX2 8742 TIP3 OH2 OT -0.834000 15.9994 0 434 BOX2 8742 TIP3 H1 HT 0.417000 1.0080 0 435 BOX2 8742 TIP3 H2 HT 0.417000 1.0080 0 436 BOX2 9308 TIP3 OH2 OT -0.834000 15.9994 0 437 BOX2 9308 TIP3 H1 HT 0.417000 1.0080 0 438 BOX2 9308 TIP3 H2 HT 0.417000 1.0080 0 439 BOX2 9363 TIP3 OH2 OT -0.834000 15.9994 0 440 BOX2 9363 TIP3 H1 HT 0.417000 1.0080 0 441 BOX2 9363 TIP3 H2 HT 0.417000 1.0080 0 442 BOX3 987 TIP3 OH2 OT -0.834000 15.9994 0 443 BOX3 987 TIP3 H1 HT 0.417000 1.0080 0 444 BOX3 987 TIP3 H2 HT 0.417000 1.0080 0 445 BOX3 1909 TIP3 OH2 OT -0.834000 15.9994 0 446 BOX3 1909 TIP3 H1 HT 0.417000 1.0080 0 447 BOX3 1909 TIP3 H2 HT 0.417000 1.0080 0 406 !NBOND: bonds 1 2 1 24 2 13 3 4 3 14 4 15 5 6 5 16 6 17 7 8 7 18 8 19 9 10 9 20 10 21 11 12 11 22 12 23 13 14 13 26 14 27 15 16 15 28 16 29 17 18 17 30 18 31 19 20 19 32 20 33 21 22 21 34 22 35 23 24 23 36 24 25 25 26 25 48 26 37 27 28 27 38 28 39 29 30 29 40 30 41 31 32 31 42 32 43 33 34 33 44 34 45 35 36 35 46 36 47 37 38 37 50 38 51 39 40 39 52 40 53 41 42 41 54 42 55 43 44 43 56 44 57 45 46 45 58 46 59 47 48 47 60 48 49 49 50 49 72 50 61 51 52 51 62 52 63 53 54 53 64 54 65 55 56 55 66 56 67 57 58 57 68 58 69 59 60 59 70 60 71 61 62 61 74 62 75 63 64 63 76 64 77 65 66 65 78 66 79 67 68 67 80 68 81 69 70 69 82 70 83 71 72 71 84 72 73 73 74 73 96 74 85 75 76 75 86 76 87 77 78 77 88 78 89 79 80 79 90 80 91 81 82 81 92 82 93 83 84 83 94 84 95 85 86 85 98 86 99 87 88 87 100 88 101 89 90 89 102 90 103 91 92 91 104 92 105 93 94 93 106 94 107 95 96 95 108 96 97 97 98 97 120 98 109 99 100 99 110 100 111 101 102 101 112 102 113 103 104 103 114 104 115 105 106 105 116 106 117 107 108 107 118 108 119 109 110 109 122 110 123 111 112 111 124 112 125 113 114 113 126 114 127 115 116 115 128 116 129 117 118 117 130 118 131 119 120 119 132 120 121 121 122 121 144 122 133 123 124 123 134 124 135 125 126 125 136 126 137 127 128 127 138 128 139 129 130 129 140 130 141 131 132 131 142 132 143 133 134 135 136 137 138 139 140 141 142 143 144 145 146 145 147 148 149 148 150 151 152 151 153 154 155 154 156 157 158 157 159 160 161 160 162 163 164 163 165 166 167 166 168 169 170 169 171 172 173 172 174 175 176 175 177 178 179 178 180 181 182 181 183 184 185 184 186 187 188 187 189 190 191 190 192 193 194 193 195 196 197 196 198 199 200 199 201 202 203 202 204 205 206 205 207 208 209 208 210 211 212 211 213 214 215 214 216 217 218 217 219 220 221 220 222 223 224 223 225 226 227 226 228 229 230 229 231 232 233 232 234 235 236 235 237 238 239 238 240 241 242 241 243 244 245 244 246 247 248 247 249 250 251 250 252 253 254 253 255 256 257 256 258 259 260 259 261 262 263 262 264 265 266 265 267 268 269 268 270 271 272 271 273 274 275 274 276 277 278 277 279 280 281 280 282 283 284 283 285 286 287 286 288 289 290 289 291 292 293 292 294 295 296 295 297 298 299 298 300 301 302 301 303 304 305 304 306 307 308 307 309 310 311 310 312 313 314 313 315 316 317 316 318 319 320 319 321 322 323 322 324 325 326 325 327 328 329 328 330 331 332 331 333 334 335 334 336 337 338 337 339 340 341 340 342 343 344 343 345 346 347 346 348 349 350 349 351 352 353 352 354 355 356 355 357 358 359 358 360 361 362 361 363 364 365 364 366 367 368 367 369 370 371 370 372 373 374 373 375 376 377 376 378 379 380 379 381 382 383 382 384 385 386 385 387 388 389 388 390 391 392 391 393 394 395 394 396 397 398 397 399 400 401 400 402 403 404 403 405 406 407 406 408 409 410 409 411 412 413 412 414 415 416 415 417 418 419 418 420 421 422 421 423 424 425 424 426 427 428 427 429 430 431 430 432 433 434 433 435 436 437 436 438 439 440 439 441 442 443 442 444 445 446 445 447 485 !NTHETA: angles 1 24 25 1 2 13 2 13 26 2 1 24 3 14 27 3 4 15 4 15 28 4 3 14 5 16 29 5 6 17 6 17 30 6 5 16 7 18 31 7 8 19 8 19 32 8 7 18 9 20 33 9 10 21 10 21 34 10 9 20 11 22 35 11 12 23 12 23 36 12 11 22 13 26 37 13 14 27 13 14 3 14 27 38 14 13 26 14 13 2 15 28 39 15 16 29 15 16 5 16 29 40 16 15 28 16 15 4 17 30 41 17 18 31 17 18 7 18 31 42 18 17 30 18 17 6 19 32 43 19 20 33 19 20 9 20 33 44 20 19 32 20 19 8 21 34 45 21 22 35 21 22 11 22 35 46 22 21 34 22 21 10 23 36 47 23 24 25 23 24 1 24 25 48 24 23 36 24 23 12 25 48 49 25 26 37 25 26 13 26 37 50 26 25 48 26 25 24 27 38 51 27 28 39 27 28 15 28 39 52 28 27 38 28 27 14 29 40 53 29 30 41 29 30 17 30 41 54 30 29 40 30 29 16 31 42 55 31 32 43 31 32 19 32 43 56 32 31 42 32 31 18 33 44 57 33 34 45 33 34 21 34 45 58 34 33 44 34 33 20 35 46 59 35 36 47 35 36 23 36 47 60 36 35 46 36 35 22 37 50 61 37 38 51 37 38 27 38 51 62 38 37 50 38 37 26 39 52 63 39 40 53 39 40 29 40 53 64 40 39 52 40 39 28 41 54 65 41 42 55 41 42 31 42 55 66 42 41 54 42 41 30 43 56 67 43 44 57 43 44 33 44 57 68 44 43 56 44 43 32 45 58 69 45 46 59 45 46 35 46 59 70 46 45 58 46 45 34 47 60 71 47 48 49 47 48 25 48 49 72 48 47 60 48 47 36 49 72 73 49 50 61 49 50 37 50 61 74 50 49 72 50 49 48 51 62 75 51 52 63 51 52 39 52 63 76 52 51 62 52 51 38 53 64 77 53 54 65 53 54 41 54 65 78 54 53 64 54 53 40 55 66 79 55 56 67 55 56 43 56 67 80 56 55 66 56 55 42 57 68 81 57 58 69 57 58 45 58 69 82 58 57 68 58 57 44 59 70 83 59 60 71 59 60 47 60 71 84 60 59 70 60 59 46 61 74 85 61 62 75 61 62 51 62 75 86 62 61 74 62 61 50 63 76 87 63 64 77 63 64 53 64 77 88 64 63 76 64 63 52 65 78 89 65 66 79 65 66 55 66 79 90 66 65 78 66 65 54 67 80 91 67 68 81 67 68 57 68 81 92 68 67 80 68 67 56 69 82 93 69 70 83 69 70 59 70 83 94 70 69 82 70 69 58 71 84 95 71 72 73 71 72 49 72 73 96 72 71 84 72 71 60 73 96 97 73 74 85 73 74 61 74 85 98 74 73 96 74 73 72 75 86 99 75 76 87 75 76 63 76 87 100 76 75 86 76 75 62 77 88 101 77 78 89 77 78 65 78 89 102 78 77 88 78 77 64 79 90 103 79 80 91 79 80 67 80 91 104 80 79 90 80 79 66 81 92 105 81 82 93 81 82 69 82 93 106 82 81 92 82 81 68 83 94 107 83 84 95 83 84 71 84 95 108 84 83 94 84 83 70 85 98 109 85 86 99 85 86 75 86 99 110 86 85 98 86 85 74 87 100 111 87 88 101 87 88 77 88 101 112 88 87 100 88 87 76 89 102 113 89 90 103 89 90 79 90 103 114 90 89 102 90 89 78 91 104 115 91 92 105 91 92 81 92 105 116 92 91 104 92 91 80 93 106 117 93 94 107 93 94 83 94 107 118 94 93 106 94 93 82 95 108 119 95 96 97 95 96 73 96 97 120 96 95 108 96 95 84 97 120 121 97 98 109 97 98 85 98 109 122 98 97 120 98 97 96 99 110 123 99 100 111 99 100 87 100 111 124 100 99 110 100 99 86 101 112 125 101 102 113 101 102 89 102 113 126 102 101 112 102 101 88 103 114 127 103 104 115 103 104 91 104 115 128 104 103 114 104 103 90 105 116 129 105 106 117 105 106 93 106 117 130 106 105 116 106 105 92 107 118 131 107 108 119 107 108 95 108 119 132 108 107 118 108 107 94 109 122 133 109 110 123 109 110 99 110 123 134 110 109 122 110 109 98 111 124 135 111 112 125 111 112 101 112 125 136 112 111 124 112 111 100 113 126 137 113 114 127 113 114 103 114 127 138 114 113 126 114 113 102 115 128 139 115 116 129 115 116 105 116 129 140 116 115 128 116 115 104 117 130 141 117 118 131 117 118 107 118 131 142 118 117 130 118 117 106 119 132 143 119 120 121 119 120 97 120 121 144 120 119 132 120 119 108 121 122 133 121 122 109 122 121 144 122 121 120 123 124 135 123 124 111 124 123 134 124 123 110 125 126 137 125 126 113 126 125 136 126 125 112 127 128 139 127 128 115 128 127 138 128 127 114 129 130 141 129 130 117 130 129 140 130 129 116 131 132 143 131 132 119 132 131 142 132 131 118 133 134 123 134 133 122 135 136 125 136 135 124 137 138 127 138 137 126 139 140 129 140 139 128 141 142 131 142 141 130 143 144 121 144 143 132 146 145 147 149 148 150 152 151 153 155 154 156 158 157 159 161 160 162 164 163 165 167 166 168 170 169 171 173 172 174 176 175 177 179 178 180 182 181 183 185 184 186 188 187 189 191 190 192 194 193 195 197 196 198 200 199 201 203 202 204 206 205 207 209 208 210 212 211 213 215 214 216 218 217 219 221 220 222 224 223 225 227 226 228 230 229 231 233 232 234 236 235 237 239 238 240 242 241 243 245 244 246 248 247 249 251 250 252 254 253 255 257 256 258 260 259 261 263 262 264 266 265 267 269 268 270 272 271 273 275 274 276 278 277 279 281 280 282 284 283 285 287 286 288 290 289 291 293 292 294 296 295 297 299 298 300 302 301 303 305 304 306 308 307 309 311 310 312 314 313 315 317 316 318 320 319 321 323 322 324 326 325 327 329 328 330 332 331 333 335 334 336 338 337 339 341 340 342 344 343 345 347 346 348 350 349 351 353 352 354 356 355 357 359 358 360 362 361 363 365 364 366 368 367 369 371 370 372 374 373 375 377 376 378 380 379 381 383 382 384 386 385 387 389 388 390 392 391 393 395 394 396 398 397 399 401 400 402 404 403 405 407 406 408 410 409 411 413 412 414 416 415 417 419 418 420 422 421 423 425 424 426 428 427 429 431 430 432 434 433 435 437 436 438 440 439 441 443 442 444 446 445 447 732 !NPHI: dihedrals 1 24 23 12 1 24 23 36 1 24 25 26 1 24 25 48 1 2 13 14 1 2 13 26 2 13 14 3 2 13 14 27 2 13 26 25 2 13 26 37 2 1 24 23 2 1 24 25 3 14 13 26 3 14 27 28 3 14 27 38 3 4 15 16 3 4 15 28 4 15 16 5 4 15 16 29 4 15 28 27 4 15 28 39 4 3 14 13 4 3 14 27 5 16 15 28 5 16 29 30 5 16 29 40 5 6 17 18 5 6 17 30 6 17 18 7 6 17 18 31 6 17 30 29 6 17 30 41 6 5 16 15 6 5 16 29 7 18 17 30 7 18 31 32 7 18 31 42 7 8 19 20 7 8 19 32 8 19 20 9 8 19 20 33 8 19 32 31 8 19 32 43 8 7 18 17 8 7 18 31 9 20 19 32 9 20 33 34 9 20 33 44 9 10 21 22 9 10 21 34 10 21 22 11 10 21 22 35 10 21 34 33 10 21 34 45 10 9 20 19 10 9 20 33 11 22 21 34 11 22 35 36 11 22 35 46 11 12 23 24 11 12 23 36 12 23 24 25 12 23 36 35 12 23 36 47 12 11 22 21 12 11 22 35 13 26 25 24 13 26 25 48 13 26 37 38 13 26 37 50 13 14 27 28 13 14 27 38 13 2 1 24 14 27 28 15 14 27 28 39 14 27 38 37 14 27 38 51 14 13 26 25 14 13 26 37 14 3 4 15 15 28 27 38 15 28 39 40 15 28 39 52 15 16 29 30 15 16 29 40 16 29 30 17 16 29 30 41 16 29 40 39 16 29 40 53 16 15 28 27 16 15 28 39 16 5 6 17 17 30 29 40 17 30 41 42 17 30 41 54 17 18 31 32 17 18 31 42 18 31 32 19 18 31 32 43 18 31 42 41 18 31 42 55 18 17 30 29 18 17 30 41 18 7 8 19 19 32 31 42 19 32 43 44 19 32 43 56 19 20 33 34 19 20 33 44 20 33 34 21 20 33 34 45 20 33 44 43 20 33 44 57 20 19 32 31 20 19 32 43 20 9 10 21 21 34 33 44 21 34 45 46 21 34 45 58 21 22 35 36 21 22 35 46 22 35 36 23 22 35 36 47 22 35 46 45 22 35 46 59 22 21 34 33 22 21 34 45 22 11 12 23 23 36 35 46 23 36 47 48 23 36 47 60 23 24 25 26 23 24 25 48 24 25 26 37 24 25 48 47 24 25 48 49 24 23 36 35 24 23 36 47 25 48 47 36 25 48 47 60 25 48 49 50 25 48 49 72 25 26 37 38 25 26 37 50 25 24 23 36 26 37 38 27 26 37 38 51 26 37 50 49 26 37 50 61 26 25 48 47 26 25 48 49 26 13 14 27 27 38 37 50 27 38 51 52 27 38 51 62 27 28 39 40 27 28 39 52 28 39 40 29 28 39 40 53 28 39 52 51 28 39 52 63 28 27 38 37 28 27 38 51 28 15 16 29 29 40 39 52 29 40 53 54 29 40 53 64 29 30 41 42 29 30 41 54 30 41 42 31 30 41 42 55 30 41 54 53 30 41 54 65 30 29 40 39 30 29 40 53 30 17 18 31 31 42 41 54 31 42 55 56 31 42 55 66 31 32 43 44 31 32 43 56 32 43 44 33 32 43 44 57 32 43 56 55 32 43 56 67 32 31 42 41 32 31 42 55 32 19 20 33 33 44 43 56 33 44 57 58 33 44 57 68 33 34 45 46 33 34 45 58 34 45 46 35 34 45 46 59 34 45 58 57 34 45 58 69 34 33 44 43 34 33 44 57 34 21 22 35 35 46 45 58 35 46 59 60 35 46 59 70 35 36 47 48 35 36 47 60 36 47 48 49 36 47 60 59 36 47 60 71 36 35 46 45 36 35 46 59 37 50 49 48 37 50 49 72 37 50 61 62 37 50 61 74 37 38 51 52 37 38 51 62 37 26 25 48 38 51 52 39 38 51 52 63 38 51 62 61 38 51 62 75 38 37 50 49 38 37 50 61 38 27 28 39 39 52 51 62 39 52 63 64 39 52 63 76 39 40 53 54 39 40 53 64 40 53 54 41 40 53 54 65 40 53 64 63 40 53 64 77 40 39 52 51 40 39 52 63 40 29 30 41 41 54 53 64 41 54 65 66 41 54 65 78 41 42 55 56 41 42 55 66 42 55 56 43 42 55 56 67 42 55 66 65 42 55 66 79 42 41 54 53 42 41 54 65 42 31 32 43 43 56 55 66 43 56 67 68 43 56 67 80 43 44 57 58 43 44 57 68 44 57 58 45 44 57 58 69 44 57 68 67 44 57 68 81 44 43 56 55 44 43 56 67 44 33 34 45 45 58 57 68 45 58 69 70 45 58 69 82 45 46 59 60 45 46 59 70 46 59 60 47 46 59 60 71 46 59 70 69 46 59 70 83 46 45 58 57 46 45 58 69 46 35 36 47 47 60 59 70 47 60 71 72 47 60 71 84 47 48 49 50 47 48 49 72 48 49 50 61 48 49 72 71 48 49 72 73 48 47 60 59 48 47 60 71 49 72 71 60 49 72 71 84 49 72 73 74 49 72 73 96 49 50 61 62 49 50 61 74 49 48 47 60 50 61 62 51 50 61 62 75 50 61 74 73 50 61 74 85 50 49 72 71 50 49 72 73 50 37 38 51 51 62 61 74 51 62 75 76 51 62 75 86 51 52 63 64 51 52 63 76 52 63 64 53 52 63 64 77 52 63 76 75 52 63 76 87 52 51 62 61 52 51 62 75 52 39 40 53 53 64 63 76 53 64 77 78 53 64 77 88 53 54 65 66 53 54 65 78 54 65 66 55 54 65 66 79 54 65 78 77 54 65 78 89 54 53 64 63 54 53 64 77 54 41 42 55 55 66 65 78 55 66 79 80 55 66 79 90 55 56 67 68 55 56 67 80 56 67 68 57 56 67 68 81 56 67 80 79 56 67 80 91 56 55 66 65 56 55 66 79 56 43 44 57 57 68 67 80 57 68 81 82 57 68 81 92 57 58 69 70 57 58 69 82 58 69 70 59 58 69 70 83 58 69 82 81 58 69 82 93 58 57 68 67 58 57 68 81 58 45 46 59 59 70 69 82 59 70 83 84 59 70 83 94 59 60 71 72 59 60 71 84 60 71 72 73 60 71 84 83 60 71 84 95 60 59 70 69 60 59 70 83 61 74 73 72 61 74 73 96 61 74 85 86 61 74 85 98 61 62 75 76 61 62 75 86 61 50 49 72 62 75 76 63 62 75 76 87 62 75 86 85 62 75 86 99 62 61 74 73 62 61 74 85 62 51 52 63 63 76 75 86 63 76 87 88 63 76 87 100 63 64 77 78 63 64 77 88 64 77 78 65 64 77 78 89 64 77 88 87 64 77 88 101 64 63 76 75 64 63 76 87 64 53 54 65 65 78 77 88 65 78 89 90 65 78 89 102 65 66 79 80 65 66 79 90 66 79 80 67 66 79 80 91 66 79 90 89 66 79 90 103 66 65 78 77 66 65 78 89 66 55 56 67 67 80 79 90 67 80 91 92 67 80 91 104 67 68 81 82 67 68 81 92 68 81 82 69 68 81 82 93 68 81 92 91 68 81 92 105 68 67 80 79 68 67 80 91 68 57 58 69 69 82 81 92 69 82 93 94 69 82 93 106 69 70 83 84 69 70 83 94 70 83 84 71 70 83 84 95 70 83 94 93 70 83 94 107 70 69 82 81 70 69 82 93 70 59 60 71 71 84 83 94 71 84 95 96 71 84 95 108 71 72 73 74 71 72 73 96 72 73 74 85 72 73 96 95 72 73 96 97 72 71 84 83 72 71 84 95 73 96 95 84 73 96 95 108 73 96 97 98 73 96 97 120 73 74 85 86 73 74 85 98 73 72 71 84 74 85 86 75 74 85 86 99 74 85 98 97 74 85 98 109 74 73 96 95 74 73 96 97 74 61 62 75 75 86 85 98 75 86 99 100 75 86 99 110 75 76 87 88 75 76 87 100 76 87 88 77 76 87 88 101 76 87 100 99 76 87 100 111 76 75 86 85 76 75 86 99 76 63 64 77 77 88 87 100 77 88 101 102 77 88 101 112 77 78 89 90 77 78 89 102 78 89 90 79 78 89 90 103 78 89 102 101 78 89 102 113 78 77 88 87 78 77 88 101 78 65 66 79 79 90 89 102 79 90 103 104 79 90 103 114 79 80 91 92 79 80 91 104 80 91 92 81 80 91 92 105 80 91 104 103 80 91 104 115 80 79 90 89 80 79 90 103 80 67 68 81 81 92 91 104 81 92 105 106 81 92 105 116 81 82 93 94 81 82 93 106 82 93 94 83 82 93 94 107 82 93 106 105 82 93 106 117 82 81 92 91 82 81 92 105 82 69 70 83 83 94 93 106 83 94 107 108 83 94 107 118 83 84 95 96 83 84 95 108 84 95 96 97 84 95 108 107 84 95 108 119 84 83 94 93 84 83 94 107 85 98 97 96 85 98 97 120 85 98 109 110 85 98 109 122 85 86 99 100 85 86 99 110 85 74 73 96 86 99 100 87 86 99 100 111 86 99 110 109 86 99 110 123 86 85 98 97 86 85 98 109 86 75 76 87 87 100 99 110 87 100 111 112 87 100 111 124 87 88 101 102 87 88 101 112 88 101 102 89 88 101 102 113 88 101 112 111 88 101 112 125 88 87 100 99 88 87 100 111 88 77 78 89 89 102 101 112 89 102 113 114 89 102 113 126 89 90 103 104 89 90 103 114 90 103 104 91 90 103 104 115 90 103 114 113 90 103 114 127 90 89 102 101 90 89 102 113 90 79 80 91 91 104 103 114 91 104 115 116 91 104 115 128 91 92 105 106 91 92 105 116 92 105 106 93 92 105 106 117 92 105 116 115 92 105 116 129 92 91 104 103 92 91 104 115 92 81 82 93 93 106 105 116 93 106 117 118 93 106 117 130 93 94 107 108 93 94 107 118 94 107 108 95 94 107 108 119 94 107 118 117 94 107 118 131 94 93 106 105 94 93 106 117 94 83 84 95 95 108 107 118 95 108 119 120 95 108 119 132 95 96 97 98 95 96 97 120 96 97 98 109 96 97 120 119 96 97 120 121 96 95 108 107 96 95 108 119 97 120 119 108 97 120 119 132 97 120 121 122 97 120 121 144 97 98 109 110 97 98 109 122 97 96 95 108 98 109 110 99 98 109 110 123 98 109 122 121 98 109 122 133 98 97 120 119 98 97 120 121 98 85 86 99 99 110 109 122 99 110 123 124 99 110 123 134 99 100 111 112 99 100 111 124 100 111 112 101 100 111 112 125 100 111 124 123 100 111 124 135 100 99 110 109 100 99 110 123 100 87 88 101 101 112 111 124 101 112 125 126 101 112 125 136 101 102 113 114 101 102 113 126 102 113 114 103 102 113 114 127 102 113 126 125 102 113 126 137 102 101 112 111 102 101 112 125 102 89 90 103 103 114 113 126 103 114 127 128 103 114 127 138 103 104 115 116 103 104 115 128 104 115 116 105 104 115 116 129 104 115 128 127 104 115 128 139 104 103 114 113 104 103 114 127 104 91 92 105 105 116 115 128 105 116 129 130 105 116 129 140 105 106 117 118 105 106 117 130 106 117 118 107 106 117 118 131 106 117 130 129 106 117 130 141 106 105 116 115 106 105 116 129 106 93 94 107 107 118 117 130 107 118 131 132 107 118 131 142 107 108 119 120 107 108 119 132 108 119 120 121 108 119 132 131 108 119 132 143 108 107 118 117 108 107 118 131 109 122 121 120 109 122 121 144 109 122 133 134 109 110 123 124 109 110 123 134 109 98 97 120 110 123 124 111 110 123 124 135 110 123 134 133 110 109 122 121 110 109 122 133 110 99 100 111 111 124 123 134 111 124 135 136 111 112 125 126 111 112 125 136 112 125 126 113 112 125 126 137 112 125 136 135 112 111 124 123 112 111 124 135 112 101 102 113 113 126 125 136 113 126 137 138 113 114 127 128 113 114 127 138 114 127 128 115 114 127 128 139 114 127 138 137 114 113 126 125 114 113 126 137 114 103 104 115 115 128 127 138 115 128 139 140 115 116 129 130 115 116 129 140 116 129 130 117 116 129 130 141 116 129 140 139 116 115 128 127 116 115 128 139 116 105 106 117 117 130 129 140 117 130 141 142 117 118 131 132 117 118 131 142 118 131 132 119 118 131 132 143 118 131 142 141 118 117 130 129 118 117 130 141 118 107 108 119 119 132 131 142 119 132 143 144 119 120 121 122 119 120 121 144 120 121 122 133 120 121 144 143 120 119 132 131 120 119 132 143 121 144 143 132 121 122 133 134 121 120 119 132 122 133 134 123 122 121 144 143 122 109 110 123 123 124 135 136 124 135 136 125 124 123 134 133 124 111 112 125 125 126 137 138 126 137 138 127 126 125 136 135 126 113 114 127 127 128 139 140 128 139 140 129 128 127 138 137 128 115 116 129 129 130 141 142 130 141 142 131 130 129 140 139 130 117 118 131 131 132 143 144 132 131 142 141 133 122 121 144 134 123 124 135 136 125 126 137 138 127 128 139 140 129 130 141 142 131 132 143 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 1 0 !NGRP 0 0 0