0 mol 1 unq 0 iso 0 dist 8.40848 8.27735 6.35409 9.02078 6.4181 10.488 9.11012 14.1227 9.72202 14.3478 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 4.76147 6.88695 8.34347 8.23892 11.0942 9.80897 12.8257 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.42206 7.34549 5.3315 4.76147 6.88695 8.34347 5.19532 10.3023 8.37225 8.70636 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.66602 9.72289 5.3315 5.93227 6.88695 8.34347 17.2928 11.0942 9.80897 12.8257 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.66602 9.72289 5.3315 5.93227 6.88695 8.34347 12.8246 10.3023 8.37225 8.70636 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 6.12182 5.73067 15.1366 13.6797 21.1825 9.30722 19.5639 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 14.5145 8.86252 16.1797 13.1199 11.385 7.03536 13.7755 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 8.36172 7.2461 6.16247 5.33778 9.73174 11.4939 4.06845 9.62311 7.32156 8.63598 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 6.86762 5.02717 5.83991 5.73904 5.73946 7.9258 4.75197 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.7232 8.94909 5.37072 8.76089 9.50322 7.11802 6.14253 9.73038 9.47554 5.34829 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.7232 8.94909 5.37072 6.80087 5.82404 8.00618 6.14253 9.73038 9.47554 9.67676 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.08796 6.43406 4.3158 10.9813 9.84952 7.81386 6.35731 9.76194 7.7544 10.8374 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 5.93515 6.43406 4.3226 10.7307 7.41378 9.81747 6.35731 5.13534 7.7544 4.62576 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 6.06763 6.62848 4.53126 12.6996 9.878 14.0188 3.55732 5.7065 5.03193 12.6202 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 5.03598 5.66569 6.27581 7.15062 9.51001 7.87233 10.5269 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 5.03598 6.11137 6.27581 7.15062 12.9622 7.87233 10.5269 numMergedOcc 0
16 mol 236 unq 2 iso 0 dist 5.92025 5.99137 9.01197 5.6375 7.89744 10.9008 7.15062 12.9622 7.87233 10.4054 numMergedOcc 0
17 mol 236 unq 3 iso 0 dist 9.04819 5.99137 14.6016 5.6375 8.6417 10.9008 7.15062 13.4646 7.87233 10.4054 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 6.83706 8.69345 10.7398 9.03495 6.42725 11.5135 10.7413 13.8607 6.11671 16.5973 numMergedOcc 0
