0 mol 1 unq 0 iso 0 dist 8.40848 8.27735 6.35409 9.11012 14.1227 9.72202 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.2056 6.41856 7.37821 8.02898 11.5174 9.55948 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 8.23892 11.0942 9.80897 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 6.42206 7.34549 5.3315 5.19532 10.3023 8.37225 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 9.66602 9.72289 5.3315 17.2928 11.0942 9.80897 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 9.66602 9.72289 5.3315 12.8246 10.3023 8.37225 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 13.6797 21.1825 9.30722 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.60396 8.47617 12.7554 11.3388 9.76585 8.03754 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.60396 5.73331 9.56289 4.09692 10.8612 9.47348 numMergedOcc 0
9 mol 55 unq 0 iso 0 dist 7.03751 7.74108 5.39888 8.01383 10.6565 6.7877 numMergedOcc 0
10 mol 55 unq 1 iso 0 dist 7.03751 7.74108 5.39888 4.42326 8.95571 8.02261 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.7385 7.63534 6.35022 12.1289 14.6601 8.77218 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 13.1199 11.385 7.03536 numMergedOcc 0
13 mol 110 unq 0 iso 0 dist 8.36172 7.2461 6.16247 4.06845 9.62311 7.32156 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 5.73904 5.73946 7.9258 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.59311 8.94909 14.4095 6.14253 9.56319 9.47554 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 9.22456 8.94909 17.145 6.14253 14.2363 9.47554 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 6.14253 9.73038 9.47554 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.30966 9.0847 12.2051 13.0972 11.0325 8.41774 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 5.08796 6.43406 4.3158 6.35731 9.76194 7.7544 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.93515 6.43406 4.3226 6.35731 5.13534 7.7544 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 7.5578 6.62848 6.14586 3.55732 8.83768 5.03193 numMergedOcc 0
22 mol 185 unq 1 iso 0 dist 6.06763 6.62848 4.53126 3.55732 5.7065 5.03193 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 7.15062 9.51001 7.87233 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 7.15062 12.9622 7.87233 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 9.04819 5.99137 14.6016 7.15062 13.4646 7.87233 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.83706 8.69345 10.7398 10.7413 13.8607 6.11671 numMergedOcc 0
