0 mol 1 unq 0 iso 0 dist 8.40848 8.27735 6.35409 9.11012 14.1227 9.72202 6.03793 7.90928 8.56884 9.39338 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 8.23892 11.0942 9.80897 7.23551 9.97117 6.73162 11.1917 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.42206 7.34549 5.3315 5.19532 10.3023 8.37225 7.23551 9.97117 6.73162 6.0365 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.66602 9.72289 5.3315 17.2928 11.0942 9.80897 8.34836 9.97117 6.73162 11.1917 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.66602 9.72289 5.3315 12.8246 10.3023 8.37225 8.34836 9.97117 6.73162 6.0365 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.60396 8.47617 12.7554 11.3388 9.76585 8.03754 10.7814 14.5682 9.83618 10.1053 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.7385 7.63534 6.35022 12.1289 14.6601 8.77218 4.35757 12.2107 8.97793 10.8271 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.7385 7.63534 6.35022 12.1289 14.6601 8.77218 6.55474 10.6559 8.19682 13.1819 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 5.73904 5.73946 7.9258 5.39389 13.1716 7.76729 10.8105 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.59311 8.94909 14.4095 6.14253 9.56319 9.47554 11.1266 15.7784 7.92688 6.61857 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.22456 8.94909 17.145 6.14253 14.2363 9.47554 11.1266 20.0402 7.92688 6.61857 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 6.14253 9.73038 9.47554 11.1266 11.5756 7.92688 6.61857 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.30966 9.0847 12.2051 13.0972 11.0325 8.41774 12.6562 16.6439 9.13561 10.8622 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 5.08796 6.43406 4.3158 6.35731 9.76194 7.7544 4.56814 6.17129 4.93785 5.20775 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 5.93515 6.43406 4.3226 6.35731 5.13534 7.7544 4.56814 5.83596 4.93785 5.20775 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 7.15062 9.51001 7.87233 4.47231 6.98151 5.34718 4.71339 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 7.15062 12.9622 7.87233 4.47231 9.91572 5.34718 4.71339 numMergedOcc 0
17 mol 236 unq 2 iso 0 dist 9.04819 5.99137 14.6016 7.15062 13.4646 7.87233 4.47231 12.8714 5.34718 4.71339 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 6.83706 8.69345 10.7398 10.7413 13.8607 6.11671 13.2072 14.6202 7.50578 3.83813 numMergedOcc 0
