0 mol 8 unq 0 iso 0 dist 7.46102 8.25051 8.96553 12.3138 7.3915 7.43529 9.91301 8.4069 9.62879 10.6335 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 5.36722 6.72502 6.58998 14.4535 10.0952 6.86014 10.7114 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 11.4574 8.73253 8.26458 11.0671 5.4148 9.96396 7.04044 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.18305 4.69583 6.19304 11.4574 8.73253 8.26458 13.2599 13.3558 8.70481 10.3244 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 4.81974 7.33422 7.91778 10.7244 5.42586 7.97049 12.3486 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 4.81974 7.33422 10.121 10.7244 5.42586 7.47541 12.3486 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 4.81974 7.33422 10.121 11.7434 10.1164 5.73196 14.9249 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 4.92962 5.72642 6.4497 12.5189 7.69052 9.33865 10.9734 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 4.92962 5.72642 7.3094 12.5189 7.69052 6.11741 10.9734 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 4.98864 6.59772 6.11741 5.01124 5.74857 6.08806 12.6493 8.02349 9.33865 10.9766 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 4.98864 10.9437 7.88312 5.01124 5.74857 7.21418 14.1021 11.5723 7.30858 10.0289 numMergedOcc 0
11 mol 115 unq 4 iso 0 dist 4.98864 10.9437 7.88312 5.01124 5.74857 7.21418 12.6493 8.02349 5.83991 10.9766 numMergedOcc 0
12 mol 115 unq 5 iso 0 dist 7.95871 4.86477 6.11741 7.39793 5.74857 6.08806 13.7044 8.02349 9.33865 10.9766 numMergedOcc 0
13 mol 115 unq 6 iso 0 dist 7.95871 12.0354 7.88312 7.39793 5.74857 7.21418 17.0624 11.5723 7.30858 10.0289 numMergedOcc 0
14 mol 115 unq 7 iso 0 dist 7.95871 12.0354 7.88312 7.39793 5.74857 7.21418 13.7044 8.02349 5.83991 10.9766 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 6.99491 9.29384 9.32969 15.7871 10.7062 8.40312 11.4206 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 6.99491 9.29384 9.32969 10.4432 6.63273 7.12972 6.92648 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 8.2282 8.20836 9.4027 9.60411 5.49782 6.37586 10.873 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.92932 10.5108 8.94367 8.2282 8.20836 9.4027 14.0674 8.80819 6.49416 13.846 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.92932 6.20443 9.86662 8.2282 8.20836 5.12325 9.60411 5.49782 9.71307 10.873 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.55556 11.9294 8.94367 4.02705 8.20836 9.4027 12.1043 5.49782 6.37586 10.873 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 4.02705 8.20836 9.4027 16.0579 8.80819 6.49416 13.846 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 9.55556 6.36794 9.86662 4.02705 8.20836 5.12325 12.1043 5.49782 9.71307 10.873 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 8.6537 10.7439 7.03423 7.78418 8.92743 9.62106 13.754 6.84129 9.06952 9.45972 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 7.86368 12.0816 9.45496 6.83465 7.5366 5.63086 12.3151 5.88703 6.56247 8.24186 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 7.86368 6.94762 6.7625 6.83465 7.5366 5.6819 12.3151 5.88703 9.36357 8.24186 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 8.31676 9.66465 6.89124 12.868 8.02948 8.31064 13.1441 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.54857 15.3806 7.46176 12.7168 8.55558 5.60748 14.0139 6.96053 7.88519 10.5803 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.54857 15.3806 7.46176 12.7168 8.55558 5.60748 16.6234 7.64658 7.84554 12.4037 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 12.7168 8.55558 5.60748 20.0172 10.5239 9.18903 14.4498 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 3.67304 5.26434 6.04016 9.73983 7.00201 8.45658 8.60026 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 9.73983 4.49913 8.45658 3.67304 8.60026 6.04016 8.65236 7.00201 9.14619 5.26434 numMergedOcc 0
