0 mol 24 unq 0 iso 0 dist 8.20058 8.45916 4.79736 16.6906 8.86116 12.3058 20.0654 14.012 18.0797 9.41441 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.23095 9.39274 4.77954 11.5983 6.03987 7.99919 11.0789 5.68392 6.19011 6.85556 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 10.2461 9.34396 9.62058 6.16347 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 8.00738 6.11127 10.2758 7.92503 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 10.2461 10.8498 9.62058 6.16347 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 8.00738 5.30154 10.2758 7.92503 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 7.70026 8.01537 6.68648 13.9113 7.34143 10.3447 11.7865 6.66056 5.14633 6.31696 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 16.4419 11.6378 14.005 9.27838 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 6.7212 7.81344 9.67587 11.6369 9.96708 9.35457 16.4419 11.6378 17.0868 9.27838 numMergedOcc 0
9 mol 72 unq 2 iso 0 dist 6.7212 5.49421 7.07356 11.6369 9.96708 12.1131 16.4419 11.6378 17.5421 9.27838 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 12.0507 5.08437 9.89095 13.251 7.06961 13.4954 6.7117 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.05602 4.79891 7.03983 12.0339 6.10456 12.7417 13.251 7.06961 13.4954 4.47349 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 12.1601 7.11701 8.00947 7.38135 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 12.1601 11.2312 8.00947 7.38135 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.88255 6.88175 6.9194 10.5726 8.73993 12.31 14.0057 7.20179 12.8661 6.52773 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 8.88255 6.88175 6.9194 10.5726 8.73993 12.31 8.61574 9.89358 13.3563 9.23858 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 8.88255 9.98931 13.3292 10.5726 8.73993 18.4632 14.0057 7.20179 19.8761 6.52773 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 8.88255 9.98931 13.3292 10.5726 8.73993 18.4632 8.61574 9.89358 11.8006 9.23858 numMergedOcc 0
18 mol 119 unq 4 iso 0 dist 8.88255 8.47642 10.1294 10.5726 8.73993 14.221 14.0057 7.20179 15.6486 6.52773 numMergedOcc 0
19 mol 119 unq 5 iso 0 dist 8.88255 8.47642 10.1294 10.5726 8.73993 14.221 8.61574 9.89358 6.81575 9.23858 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 6.65856 5.83384 11.7541 15.008 10.7293 16.1557 9.36851 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 6.23966 8.46972 6.28232 6.65856 5.83384 11.7541 11.0726 7.29399 13.4653 4.97175 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 8.91036 9.37406 10.7703 10.613 7.37839 12.8638 10.7108 9.0443 6.61301 7.79066 numMergedOcc 0
23 mol 231 unq 1 iso 0 dist 8.91036 8.98908 13.4098 10.613 7.37839 18.1166 10.7108 9.0443 15.2279 7.79066 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 9.95045 7.53576 5.42461 12.5761 8.27212 10.3021 11.8822 4.9377 4.68548 9.40808 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.44862 5.8804 8.74421 10.4505 6.97229 9.17612 10.5461 6.7919 6.44203 7.6595 numMergedOcc 0
