0 mol 1 unq 0 iso 0 dist 8.56884 6.09918 8.78328 4.50502 5.96833 7.27254 10.488 5.11735 12.7486 6.86701 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.85412 9.78006 7.98363 5.84314 9.71516 7.05919 8.57077 8.27962 3.98483 5.8245 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.33889 9.78006 10.4204 5.84314 9.81658 7.05919 8.57077 11.4878 3.98483 5.8245 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.73162 8.44506 8.13684 7.11305 9.96121 6.38243 10.2542 6.10146 5.30734 9.12845 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.46761 7.27383 9.17656 4.00553 10.1478 6.87028 10.3988 12.5636 7.40296 9.97769 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.46761 7.27383 9.17656 4.00553 10.1478 6.87028 11.221 14.2903 5.89202 9.32706 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 6.46761 7.27383 9.17656 4.00553 10.1478 6.87028 6.64012 5.24906 6.37648 9.08221 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 7.58407 7.27383 10.8775 4.00553 10.7327 6.87028 10.3988 9.95096 7.40296 9.97769 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 7.58407 7.27383 10.8775 4.00553 10.7327 6.87028 11.221 13.7167 5.89202 9.32706 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 7.58407 7.27383 10.8775 4.00553 10.7327 6.87028 6.64012 5.11205 6.37648 9.08221 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.36431 6.61823 10.4141 5.31547 13.3865 6.98037 9.64443 12.4284 7.24315 9.36001 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 8.36431 6.61823 10.4141 4.3481 10.5758 6.9223 9.33898 10.9701 6.08245 7.06939 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 8.36431 6.49956 4.36639 4.3481 10.5758 7.0561 9.33898 10.9701 6.86728 7.06939 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.66155 5.72642 5.87507 5.03039 13.0432 8.4965 7.30858 11.3902 5.61704 6.04595 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 9.68677 9.08536 9.57341 16.4353 16.7975 13.52 8.95212 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 9.68677 9.08536 9.57341 10.3704 7.36192 4.99056 6.99446 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 9.63176 7.77116 8.96522 9.68677 9.08536 9.57341 8.73993 10.6679 3.78311 7.64052 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 16.4114 15.8119 8.48313 14.0375 13.0122 6.02179 5.35237 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 16.4114 15.8119 8.48313 17.9288 13.3077 10.9332 7.99477 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 8.79571 8.20836 9.65798 12.8086 14.0978 6.99345 15.281 14.8449 11.7434 6.42772 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 8.79571 8.20836 9.65798 12.8086 14.0978 6.99345 9.86662 6.17103 5.12325 9.1998 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 8.79571 8.20836 9.65798 12.8086 14.0978 6.99345 14.0375 13.0122 6.02179 8.70621 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 8.79571 8.20836 9.65798 7.41373 11.7151 5.11043 8.94367 5.41704 9.4027 9.33094 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 8.79571 8.20836 9.65798 7.41373 11.7151 5.11043 9.86662 6.17103 5.12325 8.69531 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 8.96511 4.92088 7.07052 6.42973 12.6109 8.25282 6.69288 10.5783 10.1489 7.06025 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 8.19953 8.37597 8.5129 5.13732 5.73591 8.54702 6.61986 10.7113 4.59567 8.08349 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 8.19953 8.37597 8.5129 5.13732 5.73591 8.54702 13.4025 11.4252 9.48743 9.78218 numMergedOcc 0
