0 mol 0 unq 0 iso 0 dist 6.94181 5.47921 7.15528 9.83355 9.19662 6.26831 12.2644 9.46298 7.40865 5.73813 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.7923 5.97304 6.60423 20.0654 14.012 9.41441 11.9395 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 9.75994 9.36158 6.90155 10.2461 9.34396 6.16347 11.0508 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 9.75994 9.36158 6.90155 8.00738 6.11127 7.92503 6.61233 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 6.22122 4.96681 7.17969 9.75994 10.1525 6.90155 10.2461 10.8498 6.16347 11.0508 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 9.75994 10.1525 6.90155 8.00738 5.30154 7.92503 6.61233 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 7.70026 13.9113 7.34143 19.9253 12.277 9.66501 11.7865 6.66056 6.31696 12.6605 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 16.145 10.121 7.33422 9.51674 4.65335 7.54568 6.85215 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.96916 5.92158 6.45675 13.7941 11.8512 9.00544 12.1601 7.11701 7.38135 5.46256 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 8.96916 5.92158 6.45675 12.3707 9.52882 7.12017 12.1601 7.11701 7.38135 9.38256 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 13.7941 14.9392 9.00544 12.1601 11.2312 7.38135 5.46256 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 5.70279 5.92158 7.47343 12.3707 12.6602 7.12017 12.1601 11.2312 7.38135 9.38256 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.4602 4.91132 8.56342 14.0057 7.20179 6.52773 6.96805 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 10.4602 4.91132 8.56342 8.61574 9.89358 9.23858 13.3975 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 8.88255 10.5726 8.73993 11.794 6.08167 6.37542 14.0057 7.20179 6.52773 4.86811 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 8.88255 10.5726 8.73993 11.794 6.08167 6.37542 8.61574 9.89358 9.23858 8.00229 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 12.3218 6.67948 8.03372 15.008 10.7293 9.36851 6.84211 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 12.3218 6.67948 8.03372 11.0726 7.29399 4.97175 4.53459 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 11.4129 13.8722 6.51749 9.99409 8.91338 8.90963 13.0913 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.16813 8.61343 7.54065 13.0447 8.90184 7.20574 12.0848 11.7429 8.73217 11.8992 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 12.6432 6.03524 8.48341 13.4892 7.75466 9.07471 7.92402 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 8.5834 5.01062 7.54212 12.6432 7.60395 8.48341 13.4892 13.3447 9.07471 7.92402 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 13.5057 10.5813 8.03442 11.9075 6.35849 7.43071 12.8075 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 13.5057 10.5813 8.03442 11.7218 10.9607 5.41321 4.59123 numMergedOcc 0
24 mol 227 unq 2 iso 0 dist 7.71761 5.841 7.55216 11.0495 9.69537 8.03442 11.6367 9.32448 7.43071 12.8075 numMergedOcc 0
25 mol 227 unq 3 iso 0 dist 7.71761 5.841 7.55216 11.0495 9.69537 8.03442 6.65275 6.48027 5.41321 4.59123 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.44862 10.4505 6.97229 13.7957 11.6066 8.15467 10.5461 6.7919 7.6595 6.05037 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 8.9706 5.70285 6.60405 11.064 7.42673 6.70815 11.8123 5.63675 7.21311 8.10604 numMergedOcc 0
