0 mol 55 unq 0 iso 0 dist 5.64864 5.24284 5.33599 7.7602 7.58315 8.57785 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 5.64864 5.24284 5.33599 7.71738 11.6476 7.03751 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 8.93435 5.24284 10.2209 7.7602 12.8747 8.57785 numMergedOcc 0
3 mol 55 unq 3 iso 0 dist 8.93435 5.24284 10.2209 7.71738 15.1976 7.03751 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.6786 7.11556 5.13555 7.16986 13.1814 9.79412 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 8.6786 6.15185 8.44185 7.16986 13.1814 8.65822 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 8.78439 4.9418 8.55092 5.07478 13.4805 6.79564 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 8.50734 7.92498 14.4003 6.31058 10.9767 8.28452 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 8.50734 7.92498 14.4003 11.6347 19.9321 8.44004 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.47443 7.65299 15.8352 9.99175 16.9132 6.12404 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.47392 6.74947 8.78038 6.24568 12.4619 8.0302 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.47392 6.74947 8.78038 7.74601 13.1226 6.65051 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 6.47392 6.74947 8.78038 10.8712 15.3723 9.41519 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 7.642 8.11268 11.2473 6.33958 13.7855 8.56204 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 9.37716 8.85187 8.19458 9.75201 13.7889 9.84843 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 9.37716 9.44083 14.6456 6.55581 15.8719 9.60497 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.30288 4.17978 6.85536 6.56866 13.6227 9.86936 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 6.59321 4.91191 5.5881 6.6982 13.0931 9.49046 numMergedOcc 0
18 mol 233 unq 1 iso 0 dist 6.59321 4.91191 5.5881 4.98124 8.08007 7.24533 numMergedOcc 0
19 mol 233 unq 2 iso 0 dist 9.80759 4.91191 11.4518 6.6982 15.4013 9.49046 numMergedOcc 0
20 mol 233 unq 3 iso 0 dist 9.80759 4.91191 11.4518 4.98124 12.082 7.24533 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 6.67008 9.27556 3.76546 7.30325 5.82864 8.74168 numMergedOcc 0
