1PSF 2 2 !NTITLE 3 REMARKS Filename= FinalMixture.PSF 4 REMARKS Molecular structure file for 400 molecules. 5 6 400 !NATOM 7 1 ARGN 1 ARG AR ARG 0.000000 39.9500 0 8 2 ARGN 2 ARG AR ARG 0.000000 39.9500 0 9 3 ARGN 3 ARG AR ARG 0.000000 39.9500 0 10 4 ARGN 4 ARG AR ARG 0.000000 39.9500 0 11 5 ARGN 5 ARG AR ARG 0.000000 39.9500 0 12 6 ARGN 6 ARG AR ARG 0.000000 39.9500 0 13 7 ARGN 7 ARG AR ARG 0.000000 39.9500 0 14 8 ARGN 8 ARG AR ARG 0.000000 39.9500 0 15 9 ARGN 9 ARG AR ARG 0.000000 39.9500 0 16 10 ARGN 10 ARG AR ARG 0.000000 39.9500 0 17 11 ARGN 11 ARG AR ARG 0.000000 39.9500 0 18 12 ARGN 12 ARG AR ARG 0.000000 39.9500 0 19 13 ARGN 13 ARG AR ARG 0.000000 39.9500 0 20 14 ARGN 14 ARG AR ARG 0.000000 39.9500 0 21 15 ARGN 15 ARG AR ARG 0.000000 39.9500 0 22 16 ARGN 16 ARG AR ARG 0.000000 39.9500 0 23 17 ARGN 17 ARG AR ARG 0.000000 39.9500 0 24 18 ARGN 18 ARG AR ARG 0.000000 39.9500 0 25 19 ARGN 19 ARG AR ARG 0.000000 39.9500 0 26 20 ARGN 20 ARG AR ARG 0.000000 39.9500 0 27 21 ARGN 21 ARG AR ARG 0.000000 39.9500 0 28 22 ARGN 22 ARG AR ARG 0.000000 39.9500 0 29 23 ARGN 23 ARG AR ARG 0.000000 39.9500 0 30 24 ARGN 24 ARG AR ARG 0.000000 39.9500 0 31 25 ARGN 25 ARG AR ARG 0.000000 39.9500 0 32 26 ARGN 26 ARG AR ARG 0.000000 39.9500 0 33 27 ARGN 27 ARG AR ARG 0.000000 39.9500 0 34 28 ARGN 28 ARG AR ARG 0.000000 39.9500 0 35 29 ARGN 29 ARG AR ARG 0.000000 39.9500 0 36 30 ARGN 30 ARG AR ARG 0.000000 39.9500 0 37 31 ARGN 31 ARG AR ARG 0.000000 39.9500 0 38 32 ARGN 32 ARG AR ARG 0.000000 39.9500 0 39 33 ARGN 33 ARG AR ARG 0.000000 39.9500 0 40 34 ARGN 34 ARG AR ARG 0.000000 39.9500 0 41 35 ARGN 35 ARG AR ARG 0.000000 39.9500 0 42 36 ARGN 36 ARG AR ARG 0.000000 39.9500 0 43 37 ARGN 37 ARG AR ARG 0.000000 39.9500 0 44 38 ARGN 38 ARG AR ARG 0.000000 39.9500 0 45 39 ARGN 39 ARG AR ARG 0.000000 39.9500 0 46 40 ARGN 40 ARG AR ARG 0.000000 39.9500 0 47 41 ARGN 41 ARG AR ARG 0.000000 39.9500 0 48 42 ARGN 42 ARG AR ARG 0.000000 39.9500 0 49 43 ARGN 43 ARG AR ARG 0.000000 39.9500 0 50 44 ARGN 44 ARG AR ARG 0.000000 39.9500 0 51 45 ARGN 45 ARG AR ARG 0.000000 39.9500 0 52 46 ARGN 46 ARG AR ARG 0.000000 39.9500 0 53 47 ARGN 47 ARG AR ARG 0.000000 39.9500 0 54 48 ARGN 48 ARG AR ARG 0.000000 39.9500 0 55 49 ARGN 49 ARG AR ARG 0.000000 39.9500 0 56 50 ARGN 50 ARG AR ARG 0.000000 39.9500 0 57 51 ARGN 51 ARG AR ARG 0.000000 39.9500 0 58 52 ARGN 52 ARG AR ARG 0.000000 39.9500 0 59 53 ARGN 53 ARG AR ARG 0.000000 39.9500 0 60 54 ARGN 54 ARG AR ARG 0.000000 39.9500 0 61 55 ARGN 55 ARG AR ARG 0.000000 39.9500 0 62 56 ARGN 56 ARG AR ARG 0.000000 39.9500 0 63 57 ARGN 57 ARG AR ARG 0.000000 39.9500 0 64 58 ARGN 58 ARG AR ARG 0.000000 39.9500 0 65 59 ARGN 59 ARG AR ARG 0.000000 39.9500 0 66 60 ARGN 60 ARG AR ARG 0.000000 39.9500 0 67 61 ARGN 61 ARG AR ARG 0.000000 39.9500 0 68 62 ARGN 62 ARG AR ARG 0.000000 39.9500 0 69 63 ARGN 63 ARG AR ARG 0.000000 39.9500 0 70 64 ARGN 64 ARG AR ARG 0.000000 39.9500 0 71 65 ARGN 65 ARG AR ARG 0.000000 39.9500 0 72 66 ARGN 66 ARG AR ARG 0.000000 39.9500 0 73 67 ARGN 67 ARG AR ARG 0.000000 39.9500 0 74 68 ARGN 68 ARG AR ARG 0.000000 39.9500 0 75 69 ARGN 69 ARG AR ARG 0.000000 39.9500 0 76 70 ARGN 70 ARG AR ARG 0.000000 39.9500 0 77 71 ARGN 71 ARG AR ARG 0.000000 39.9500 0 78 72 ARGN 72 ARG AR ARG 0.000000 39.9500 0 79 73 ARGN 73 ARG AR ARG 0.000000 39.9500 0 80 74 ARGN 74 ARG AR ARG 0.000000 39.9500 0 81 75 ARGN 75 ARG AR ARG 0.000000 39.9500 0 82 76 ARGN 76 ARG AR ARG 0.000000 39.9500 0 83 77 ARGN 77 ARG AR ARG 0.000000 39.9500 0 84 78 ARGN 78 ARG AR ARG 0.000000 39.9500 0 85 79 ARGN 79 ARG AR ARG 0.000000 39.9500 0 86 80 ARGN 80 ARG AR ARG 0.000000 39.9500 0 87 81 ARGN 81 ARG AR ARG 0.000000 39.9500 0 88 82 ARGN 82 ARG AR ARG 0.000000 39.9500 0 89 83 ARGN 83 ARG AR ARG 0.000000 39.9500 0 90 84 ARGN 84 ARG AR ARG 0.000000 39.9500 0 91 85 ARGN 85 ARG AR ARG 0.000000 39.9500 0 92 86 ARGN 86 ARG AR ARG 0.000000 39.9500 0 93 87 ARGN 87 ARG AR ARG 0.000000 39.9500 0 94 88 ARGN 88 ARG AR ARG 0.000000 39.9500 0 95 89 ARGN 89 ARG AR ARG 0.000000 39.9500 0 96 90 ARGN 90 ARG AR ARG 0.000000 39.9500 0 97 91 ARGN 91 ARG AR ARG 0.000000 39.9500 0 98 92 ARGN 92 ARG AR ARG 0.000000 39.9500 0 99 93 ARGN 93 ARG AR ARG 0.000000 39.9500 0 100 94 ARGN 94 ARG AR ARG 0.000000 39.9500 0 101 95 ARGN 95 ARG AR ARG 0.000000 39.9500 0 102 96 ARGN 96 ARG AR ARG 0.000000 39.9500 0 103 97 ARGN 97 ARG AR ARG 0.000000 39.9500 0 104 98 ARGN 98 ARG AR ARG 0.000000 39.9500 0 105 99 ARGN 99 ARG AR ARG 0.000000 39.9500 0 106 100 ARGN 100 ARG AR ARG 0.000000 39.9500 0 107 101 ARGN 101 ARG AR ARG 0.000000 39.9500 0 108 102 ARGN 102 ARG AR ARG 0.000000 39.9500 0 109 103 ARGN 103 ARG AR ARG 0.000000 39.9500 0 110 104 ARGN 104 ARG AR ARG 0.000000 39.9500 0 111 105 ARGN 105 ARG AR ARG 0.000000 39.9500 0 112 106 ARGN 106 ARG AR ARG 0.000000 39.9500 0 113 107 ARGN 107 ARG AR ARG 0.000000 39.9500 0 114 108 ARGN 108 ARG AR ARG 0.000000 39.9500 0 115 109 ARGN 109 ARG AR ARG 0.000000 39.9500 0 116 110 ARGN 110 ARG AR ARG 0.000000 39.9500 0 117 111 ARGN 111 ARG AR ARG 0.000000 39.9500 0 118 112 ARGN 112 ARG AR ARG 0.000000 39.9500 0 119 113 ARGN 113 ARG AR ARG 0.000000 39.9500 0 120 114 ARGN 114 ARG AR ARG 0.000000 39.9500 0 121 115 ARGN 115 ARG AR ARG 0.000000 39.9500 0 122 116 ARGN 116 ARG AR ARG 0.000000 39.9500 0 123 117 ARGN 117 ARG AR ARG 0.000000 39.9500 0 124 118 ARGN 118 ARG AR ARG 0.000000 39.9500 0 125 119 ARGN 119 ARG AR ARG 0.000000 39.9500 0 126 120 ARGN 120 ARG AR ARG 0.000000 39.9500 0 127 121 ARGN 121 ARG AR ARG 0.000000 39.9500 0 128 122 ARGN 122 ARG AR ARG 0.000000 39.9500 0 129 123 ARGN 123 ARG AR ARG 0.000000 39.9500 0 130 124 ARGN 124 ARG AR ARG 0.000000 39.9500 0 131 125 ARGN 125 ARG AR ARG 0.000000 39.9500 0 132 126 ARGN 126 ARG AR ARG 0.000000 39.9500 0 133 127 ARGN 127 ARG AR ARG 0.000000 39.9500 0 134 128 ARGN 128 ARG AR ARG 0.000000 39.9500 0 135 129 ARGN 129 ARG AR ARG 0.000000 39.9500 0 136 130 ARGN 130 ARG AR ARG 0.000000 39.9500 0 137 131 ARGN 131 ARG AR ARG 0.000000 39.9500 0 138 132 ARGN 132 ARG AR ARG 0.000000 39.9500 0 139 133 ARGN 133 ARG AR ARG 0.000000 39.9500 0 140 134 ARGN 134 ARG AR ARG 0.000000 39.9500 0 141 135 ARGN 135 ARG AR ARG 0.000000 39.9500 0 142 136 ARGN 136 ARG AR ARG 0.000000 39.9500 0 143 137 ARGN 137 ARG AR ARG 0.000000 39.9500 0 144 138 ARGN 138 ARG AR ARG 0.000000 39.9500 0 145 139 ARGN 139 ARG AR ARG 0.000000 39.9500 0 146 140 ARGN 140 ARG AR ARG 0.000000 39.9500 0 147 141 ARGN 141 ARG AR ARG 0.000000 39.9500 0 148 142 ARGN 142 ARG AR ARG 0.000000 39.9500 0 149 143 ARGN 143 ARG AR ARG 0.000000 39.9500 0 150 144 ARGN 144 ARG AR ARG 0.000000 39.9500 0 151 145 ARGN 145 ARG AR ARG 0.000000 39.9500 0 152 146 ARGN 146 ARG AR ARG 0.000000 39.9500 0 153 147 ARGN 147 ARG AR ARG 0.000000 39.9500 0 154 148 ARGN 148 ARG AR ARG 0.000000 39.9500 0 155 149 ARGN 149 ARG AR ARG 0.000000 39.9500 0 156 150 ARGN 150 ARG AR ARG 0.000000 39.9500 0 157 151 ARGN 151 ARG AR ARG 0.000000 39.9500 0 158 152 ARGN 152 ARG AR ARG 0.000000 39.9500 0 159 153 ARGN 153 ARG AR ARG 0.000000 39.9500 0 160 154 ARGN 154 ARG AR ARG 0.000000 39.9500 0 161 155 ARGN 155 ARG AR ARG 0.000000 39.9500 0 162 156 ARGN 156 ARG AR ARG 0.000000 39.9500 0 163 157 ARGN 157 ARG AR ARG 0.000000 39.9500 0 164 158 ARGN 158 ARG AR ARG 0.000000 39.9500 0 165 159 ARGN 159 ARG AR ARG 0.000000 39.9500 0 166 160 ARGN 160 ARG AR ARG 0.000000 39.9500 0 167 161 ARGN 161 ARG AR ARG 0.000000 39.9500 0 168 162 ARGN 162 ARG AR ARG 0.000000 39.9500 0 169 163 ARGN 163 ARG AR ARG 0.000000 39.9500 0 170 164 ARGN 164 ARG AR ARG 0.000000 39.9500 0 171 165 ARGN 165 ARG AR ARG 0.000000 39.9500 0 172 166 ARGN 166 ARG AR ARG 0.000000 39.9500 0 173 167 ARGN 167 ARG AR ARG 0.000000 39.9500 0 174 168 ARGN 168 ARG AR ARG 0.000000 39.9500 0 175 169 ARGN 169 ARG AR ARG 0.000000 39.9500 0 176 170 ARGN 170 ARG AR ARG 0.000000 39.9500 0 177 171 ARGN 171 ARG AR ARG 0.000000 39.9500 0 178 172 ARGN 172 ARG AR ARG 0.000000 39.9500 0 179 173 ARGN 173 ARG AR ARG 0.000000 39.9500 0 180 174 ARGN 174 ARG AR ARG 0.000000 39.9500 0 181 175 ARGN 175 ARG AR ARG 0.000000 39.9500 0 182 176 ARGN 176 ARG AR ARG 0.000000 39.9500 0 183 177 ARGN 177 ARG AR ARG 0.000000 39.9500 0 184 178 ARGN 178 ARG AR ARG 0.000000 39.9500 0 185 179 ARGN 179 ARG AR ARG 0.000000 39.9500 0 186 180 ARGN 180 ARG AR ARG 0.000000 39.9500 0 187 181 ARGN 181 ARG AR ARG 0.000000 39.9500 0 188 182 ARGN 182 ARG AR ARG 0.000000 39.9500 0 189 183 ARGN 183 ARG AR ARG 0.000000 39.9500 0 190 184 ARGN 184 ARG AR ARG 0.000000 39.9500 0 191 185 ARGN 185 ARG AR ARG 0.000000 39.9500 0 192 186 ARGN 186 ARG AR ARG 0.000000 39.9500 0 193 187 ARGN 187 ARG AR ARG 0.000000 39.9500 0 194 188 ARGN 188 ARG AR ARG 0.000000 39.9500 0 195 189 ARGN 189 ARG AR ARG 0.000000 39.9500 0 196 190 ARGN 190 ARG AR ARG 0.000000 39.9500 0 197 191 ARGN 191 ARG AR ARG 0.000000 39.9500 0 198 192 ARGN 192 ARG AR ARG 0.000000 39.9500 0 199 193 ARGN 193 ARG AR ARG 0.000000 39.9500 0 200 194 ARGN 194 ARG AR ARG 0.000000 39.9500 0 201 195 ARGN 195 ARG AR ARG 0.000000 39.9500 0 202 196 ARGN 196 ARG AR ARG 0.000000 39.9500 0 203 197 ARGN 197 ARG AR ARG 0.000000 39.9500 0 204 198 ARGN 198 ARG AR ARG 0.000000 39.9500 0 205 199 ARGN 199 ARG AR ARG 0.000000 39.9500 0 206 200 ARGN 200 ARG AR ARG 0.000000 39.9500 0 207 201 ARGN 201 ARG AR ARG 0.000000 39.9500 0 208 202 ARGN 202 ARG AR ARG 0.000000 39.9500 0 209 203 ARGN 203 ARG AR ARG 0.000000 39.9500 0 210 204 ARGN 204 ARG AR ARG 0.000000 39.9500 0 211 205 ARGN 205 ARG AR ARG 0.000000 39.9500 0 212 206 ARGN 206 ARG AR ARG 0.000000 39.9500 0 213 207 ARGN 207 ARG AR ARG 0.000000 39.9500 0 214 208 ARGN 208 ARG AR ARG 0.000000 39.9500 0 215 209 ARGN 209 ARG AR ARG 0.000000 39.9500 0 216 210 ARGN 210 ARG AR ARG 0.000000 39.9500 0 217 211 ARGN 211 ARG AR ARG 0.000000 39.9500 0 218 212 ARGN 212 ARG AR ARG 0.000000 39.9500 0 219 213 ARGN 213 ARG AR ARG 0.000000 39.9500 0 220 214 ARGN 214 ARG AR ARG 0.000000 39.9500 0 221 215 ARGN 215 ARG AR ARG 0.000000 39.9500 0 222 216 ARGN 216 ARG AR ARG 0.000000 39.9500 0 223 217 ARGN 217 ARG AR ARG 0.000000 39.9500 0 224 218 ARGN 218 ARG AR ARG 0.000000 39.9500 0 225 219 ARGN 219 ARG AR ARG 0.000000 39.9500 0 226 220 ARGN 220 ARG AR ARG 0.000000 39.9500 0 227 221 ARGN 221 ARG AR ARG 0.000000 39.9500 0 228 222 ARGN 222 ARG AR ARG 0.000000 39.9500 0 229 223 ARGN 223 ARG AR ARG 0.000000 39.9500 0 230 224 ARGN 224 ARG AR ARG 0.000000 39.9500 0 231 225 ARGN 225 ARG AR ARG 0.000000 39.9500 0 232 226 ARGN 226 ARG AR ARG 0.000000 39.9500 0 233 227 ARGN 227 ARG AR ARG 0.000000 39.9500 0 234 228 ARGN 228 ARG AR ARG 0.000000 39.9500 0 235 229 ARGN 229 ARG AR ARG 0.000000 39.9500 0 236 230 ARGN 230 ARG AR ARG 0.000000 39.9500 0 237 231 ARGN 231 ARG AR ARG 0.000000 39.9500 0 238 232 ARGN 232 ARG AR ARG 0.000000 39.9500 0 239 233 ARGN 233 ARG AR ARG 0.000000 39.9500 0 240 234 ARGN 234 ARG AR ARG 0.000000 39.9500 0 241 235 ARGN 235 ARG AR ARG 0.000000 39.9500 0 242 236 ARGN 236 ARG AR ARG 0.000000 39.9500 0 243 237 ARGN 237 ARG AR ARG 0.000000 39.9500 0 244 238 ARGN 238 ARG AR ARG 0.000000 39.9500 0 245 239 ARGN 239 ARG AR ARG 0.000000 39.9500 0 246 240 ARGN 240 ARG AR ARG 0.000000 39.9500 0 247 241 ARGN 241 ARG AR ARG 0.000000 39.9500 0 248 242 ARGN 242 ARG AR ARG 0.000000 39.9500 0 249 243 ARGN 243 ARG AR ARG 0.000000 39.9500 0 250 244 ARGN 244 ARG AR ARG 0.000000 39.9500 0 251 245 ARGN 245 ARG AR ARG 0.000000 39.9500 0 252 246 ARGN 246 ARG AR ARG 0.000000 39.9500 0 253 247 ARGN 247 ARG AR ARG 0.000000 39.9500 0 254 248 ARGN 248 ARG AR ARG 0.000000 39.9500 0 255 249 ARGN 249 ARG AR ARG 0.000000 39.9500 0 256 250 ARGN 250 ARG AR ARG 0.000000 39.9500 0 257 251 ARGN 251 ARG AR ARG 0.000000 39.9500 0 258 252 ARGN 252 ARG AR ARG 0.000000 39.9500 0 259 253 ARGN 253 ARG AR ARG 0.000000 39.9500 0 260 254 ARGN 254 ARG AR ARG 0.000000 39.9500 0 261 255 ARGN 255 ARG AR ARG 0.000000 39.9500 0 262 256 ARGN 256 ARG AR ARG 0.000000 39.9500 0 263 257 ARGN 257 ARG AR ARG 0.000000 39.9500 0 264 258 ARGN 258 ARG AR ARG 0.000000 39.9500 0 265 259 ARGN 259 ARG AR ARG 0.000000 39.9500 0 266 260 ARGN 260 ARG AR ARG 0.000000 39.9500 0 267 261 ARGN 261 ARG AR ARG 0.000000 39.9500 0 268 262 ARGN 262 ARG AR ARG 0.000000 39.9500 0 269 263 ARGN 263 ARG AR ARG 0.000000 39.9500 0 270 264 ARGN 264 ARG AR ARG 0.000000 39.9500 0 271 265 ARGN 265 ARG AR ARG 0.000000 39.9500 0 272 266 ARGN 266 ARG AR ARG 0.000000 39.9500 0 273 267 ARGN 267 ARG AR ARG 0.000000 39.9500 0 274 268 ARGN 268 ARG AR ARG 0.000000 39.9500 0 275 269 ARGN 269 ARG AR ARG 0.000000 39.9500 0 276 270 ARGN 270 ARG AR ARG 0.000000 39.9500 0 277 271 ARGN 271 ARG AR ARG 0.000000 39.9500 0 278 272 ARGN 272 ARG AR ARG 0.000000 39.9500 0 279 273 ARGN 273 ARG AR ARG 0.000000 39.9500 0 280 274 ARGN 274 ARG AR ARG 0.000000 39.9500 0 281 275 ARGN 275 ARG AR ARG 0.000000 39.9500 0 282 276 ARGN 276 ARG AR ARG 0.000000 39.9500 0 283 277 ARGN 277 ARG AR ARG 0.000000 39.9500 0 284 278 ARGN 278 ARG AR ARG 0.000000 39.9500 0 285 279 ARGN 279 ARG AR ARG 0.000000 39.9500 0 286 280 ARGN 280 ARG AR ARG 0.000000 39.9500 0 287 281 KRY 281 KRY KR KRY 0.000000 83.8000 0 288 282 KRY 282 KRY KR KRY 0.000000 83.8000 0 289 283 KRY 283 KRY KR KRY 0.000000 83.8000 0 290 284 KRY 284 KRY KR KRY 0.000000 83.8000 0 291 285 KRY 285 KRY KR KRY 0.000000 83.8000 0 292 286 KRY 286 KRY KR KRY 0.000000 83.8000 0 293 287 KRY 287 KRY KR KRY 0.000000 83.8000 0 294 288 KRY 288 KRY KR KRY 0.000000 83.8000 0 295 289 KRY 289 KRY KR KRY 0.000000 83.8000 0 296 290 KRY 290 KRY KR KRY 0.000000 83.8000 0 297 291 KRY 291 KRY KR KRY 0.000000 83.8000 0 298 292 KRY 292 KRY KR KRY 0.000000 83.8000 0 299 293 KRY 293 KRY KR KRY 0.000000 83.8000 0 300 294 KRY 294 KRY KR KRY 0.000000 83.8000 0 301 295 KRY 295 KRY KR KRY 0.000000 83.8000 0 302 296 KRY 296 KRY KR KRY 0.000000 83.8000 0 303 297 KRY 297 KRY KR KRY 0.000000 83.8000 0 304 298 KRY 298 KRY KR KRY 0.000000 83.8000 0 305 299 KRY 299 KRY KR KRY 0.000000 83.8000 0 306 300 KRY 300 KRY KR KRY 0.000000 83.8000 0 307 301 KRY 301 KRY KR KRY 0.000000 83.8000 0 308 302 KRY 302 KRY KR KRY 0.000000 83.8000 0 309 303 KRY 303 KRY KR KRY 0.000000 83.8000 0 310 304 KRY 304 KRY KR KRY 0.000000 83.8000 0 311 305 KRY 305 KRY KR KRY 0.000000 83.8000 0 312 306 KRY 306 KRY KR KRY 0.000000 83.8000 0 313 307 KRY 307 KRY KR KRY 0.000000 83.8000 0 314 308 KRY 308 KRY KR KRY 0.000000 83.8000 0 315 309 KRY 309 KRY KR KRY 0.000000 83.8000 0 316 310 KRY 310 KRY KR KRY 0.000000 83.8000 0 317 311 KRY 311 KRY KR KRY 0.000000 83.8000 0 318 312 KRY 312 KRY KR KRY 0.000000 83.8000 0 319 313 KRY 313 KRY KR KRY 0.000000 83.8000 0 320 314 KRY 314 KRY KR KRY 0.000000 83.8000 0 321 315 KRY 315 KRY KR KRY 0.000000 83.8000 0 322 316 KRY 316 KRY KR KRY 0.000000 83.8000 0 323 317 KRY 317 KRY KR KRY 0.000000 83.8000 0 324 318 KRY 318 KRY KR KRY 0.000000 83.8000 0 325 319 KRY 319 KRY KR KRY 0.000000 83.8000 0 326 320 KRY 320 KRY KR KRY 0.000000 83.8000 0 327 321 KRY 321 KRY KR KRY 0.000000 83.8000 0 328 322 KRY 322 KRY KR KRY 0.000000 83.8000 0 329 323 KRY 323 KRY KR KRY 0.000000 83.8000 0 330 324 KRY 324 KRY KR KRY 0.000000 83.8000 0 331 325 KRY 325 KRY KR KRY 0.000000 83.8000 0 332 326 KRY 326 KRY KR KRY 0.000000 83.8000 0 333 327 KRY 327 KRY KR KRY 0.000000 83.8000 0 334 328 KRY 328 KRY KR KRY 0.000000 83.8000 0 335 329 KRY 329 KRY KR KRY 0.000000 83.8000 0 336 330 KRY 330 KRY KR KRY 0.000000 83.8000 0 337 331 KRY 331 KRY KR KRY 0.000000 83.8000 0 338 332 KRY 332 KRY KR KRY 0.000000 83.8000 0 339 333 KRY 333 KRY KR KRY 0.000000 83.8000 0 340 334 KRY 334 KRY KR KRY 0.000000 83.8000 0 341 335 KRY 335 KRY KR KRY 0.000000 83.8000 0 342 336 KRY 336 KRY KR KRY 0.000000 83.8000 0 343 337 KRY 337 KRY KR KRY 0.000000 83.8000 0 344 338 KRY 338 KRY KR KRY 0.000000 83.8000 0 345 339 KRY 339 KRY KR KRY 0.000000 83.8000 0 346 340 KRY 340 KRY KR KRY 0.000000 83.8000 0 347 341 KRY 341 KRY KR KRY 0.000000 83.8000 0 348 342 KRY 342 KRY KR KRY 0.000000 83.8000 0 349 343 KRY 343 KRY KR KRY 0.000000 83.8000 0 350 344 KRY 344 KRY KR KRY 0.000000 83.8000 0 351 345 KRY 345 KRY KR KRY 0.000000 83.8000 0 352 346 KRY 346 KRY KR KRY 0.000000 83.8000 0 353 347 KRY 347 KRY KR KRY 0.000000 83.8000 0 354 348 KRY 348 KRY KR KRY 0.000000 83.8000 0 355 349 KRY 349 KRY KR KRY 0.000000 83.8000 0 356 350 KRY 350 KRY KR KRY 0.000000 83.8000 0 357 351 KRY 351 KRY KR KRY 0.000000 83.8000 0 358 352 KRY 352 KRY KR KRY 0.000000 83.8000 0 359 353 KRY 353 KRY KR KRY 0.000000 83.8000 0 360 354 KRY 354 KRY KR KRY 0.000000 83.8000 0 361 355 KRY 355 KRY KR KRY 0.000000 83.8000 0 362 356 KRY 356 KRY KR KRY 0.000000 83.8000 0 363 357 KRY 357 KRY KR KRY 0.000000 83.8000 0 364 358 KRY 358 KRY KR KRY 0.000000 83.8000 0 365 359 KRY 359 KRY KR KRY 0.000000 83.8000 0 366 360 KRY 360 KRY KR KRY 0.000000 83.8000 0 367 361 KRY 361 KRY KR KRY 0.000000 83.8000 0 368 362 KRY 362 KRY KR KRY 0.000000 83.8000 0 369 363 KRY 363 KRY KR KRY 0.000000 83.8000 0 370 364 KRY 364 KRY KR KRY 0.000000 83.8000 0 371 365 KRY 365 KRY KR KRY 0.000000 83.8000 0 372 366 KRY 366 KRY KR KRY 0.000000 83.8000 0 373 367 KRY 367 KRY KR KRY 0.000000 83.8000 0 374 368 KRY 368 KRY KR KRY 0.000000 83.8000 0 375 369 KRY 369 KRY KR KRY 0.000000 83.8000 0 376 370 KRY 370 KRY KR KRY 0.000000 83.8000 0 377 371 KRY 371 KRY KR KRY 0.000000 83.8000 0 378 372 KRY 372 KRY KR KRY 0.000000 83.8000 0 379 373 KRY 373 KRY KR KRY 0.000000 83.8000 0 380 374 KRY 374 KRY KR KRY 0.000000 83.8000 0 381 375 KRY 375 KRY KR KRY 0.000000 83.8000 0 382 376 KRY 376 KRY KR KRY 0.000000 83.8000 0 383 377 KRY 377 KRY KR KRY 0.000000 83.8000 0 384 378 KRY 378 KRY KR KRY 0.000000 83.8000 0 385 379 KRY 379 KRY KR KRY 0.000000 83.8000 0 386 380 KRY 380 KRY KR KRY 0.000000 83.8000 0 387 381 KRY 381 KRY KR KRY 0.000000 83.8000 0 388 382 KRY 382 KRY KR KRY 0.000000 83.8000 0 389 383 KRY 383 KRY KR KRY 0.000000 83.8000 0 390 384 KRY 384 KRY KR KRY 0.000000 83.8000 0 391 385 KRY 385 KRY KR KRY 0.000000 83.8000 0 392 386 KRY 386 KRY KR KRY 0.000000 83.8000 0 393 387 KRY 387 KRY KR KRY 0.000000 83.8000 0 394 388 KRY 388 KRY KR KRY 0.000000 83.8000 0 395 389 KRY 389 KRY KR KRY 0.000000 83.8000 0 396 390 KRY 390 KRY KR KRY 0.000000 83.8000 0 397 391 KRY 391 KRY KR KRY 0.000000 83.8000 0 398 392 KRY 392 KRY KR KRY 0.000000 83.8000 0 399 393 KRY 393 KRY KR KRY 0.000000 83.8000 0 400 394 KRY 394 KRY KR KRY 0.000000 83.8000 0 401 395 KRY 395 KRY KR KRY 0.000000 83.8000 0 402 396 KRY 396 KRY KR KRY 0.000000 83.8000 0 403 397 KRY 397 KRY KR KRY 0.000000 83.8000 0 404 398 KRY 398 KRY KR KRY 0.000000 83.8000 0 405 399 KRY 399 KRY KR KRY 0.000000 83.8000 0 406 400 KRY 400 KRY KR KRY 0.000000 83.8000 0 407 408 0 !NBOND: bonds 409 ***** 410 411 0 !NTHETA: angles 412 ***** 413 414 0 !NPHI: dihedrals 415 ***** 416 417 0 !NIMPHI: impropers 418 419 0 !NDON: donors 420 421 0 !NACC: acceptors 422 423 0 !NNB 424 425 0 0 !NGRP 426