0 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 9.18436 6.92781 5.05803 9.93528 12.8949 6.88552 9.30471 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 10.6042 10.0952 6.86014 9.69687 15.5112 11.4109 8.0319 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.74445 14.445 6.20293 15.3221 6.45462 8.93915 20.7422 12.0919 9.92508 9.47348 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 10.9217 6.54743 8.90863 14.86 10.8421 9.47656 7.7654 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.82095 5.63638 6.65595 6.27749 6.54743 8.90863 6.02523 10.8421 9.47656 7.7654 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 13.8836 13.4319 9.28444 7.15352 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 7.26679 15.7123 9.96396 5.4653 14.8693 12.8453 7.23812 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 10.1503 15.7123 9.96396 7.09483 14.8693 12.8453 7.23812 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.30776 8.31041 9.75218 7.26679 12.016 9.96396 5.4653 10.5158 12.8453 7.23812 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.11955 7.96098 6.80239 10.4171 7.81217 6.29155 16.0456 15.4305 9.74121 8.97762 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.11955 7.96098 6.80239 11.5405 7.79672 8.00618 13.6927 13.9771 9.67676 9.47554 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 7.78849 11.454 9.89303 11.4625 5.79898 6.54501 16.432 13.8807 5.15251 8.86784 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 16.588 12.3711 13.793 8.41774 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.74498 7.26476 8.05741 13.0082 6.4896 7.16148 16.588 12.3711 11.2124 8.41774 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 9.33771 4.91322 6.57273 7.39839 5.0744 6.60589 5.8656 10.8126 4.93626 8.80858 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 9.33771 12.979 5.78342 7.39839 5.0744 9.16166 5.8656 10.8126 11.8641 8.80858 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 9.79616 5.63485 6.57273 9.34636 4.70378 8.95269 9.9943 11.5265 12.8561 7.49783 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 9.29703 4.8786 5.78342 12.8171 11.5372 8.95269 15.4761 14.8623 12.8561 7.49783 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 10.7645 5.57838 7.03423 5.7839 10.7513 9.15968 8.83023 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 8.77254 10.054 8.35971 16.2964 14.7998 6.84306 11.7119 12.4813 5.03564 6.61371 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 8.77254 10.054 8.35971 17.6586 10.7497 9.99038 22.6763 16.1665 13.6195 5.90804 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 8.85762 4.95798 6.0664 11.1402 5.51836 6.53701 11.4101 7.96485 8.26589 5.41639 numMergedOcc 0
