0 mol 43 unq 0 iso 0 dist 8.90024 6.84521 5.06502 12.664 9.83618 13.5377 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 6.78532 6.45462 12.664 9.83618 13.7177 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 5.48831 9.39178 5.82403 5.94737 7.321 12.0769 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 8.85873 7.3606 6.88931 5.95725 8.75946 11.4549 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.49531 7.90775 14.3902 6.33328 8.67367 13.0105 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 7.4389 7.24527 4.98336 8.77144 5.87358 9.20981 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 7.24527 7.4389 4.98336 8.77144 9.20981 5.87358 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.71345 6.99793 11.6284 11.3386 8.71128 16.9585 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.64107 9.50575 10.4152 10.0279 6.50039 15.9189 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.84656 4.68975 7.11631 13.386 5.42582 12.0514 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.84656 4.9155 5.00817 13.386 5.42582 8.6355 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 4.9155 4.68975 5.79898 13.386 8.6355 12.0514 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 4.9155 8.84656 5.00817 13.386 8.6355 5.42582 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 7.30919 8.31276 14.069 9.87127 8.94837 11.0162 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 7.30919 5.79157 8.25185 9.87127 8.94837 13.754 numMergedOcc 0
15 mol 134 unq 6 iso 0 dist 7.30919 5.50687 6.90348 9.87127 8.94837 13.0127 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 6.56775 9.03917 8.31875 4.25998 5.65339 10.4621 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.39537 8.97461 14.0328 7.28423 6.91569 15.5389 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 9.39537 8.89487 15.8898 7.28423 6.91569 15.6485 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.23956 7.151 11.8268 12.9898 9.41725 19.0768 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 7.23956 8.53324 7.08227 12.9898 9.41725 15.6511 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 6.83147 9.98268 5.87439 8.84794 8.41504 10.0956 numMergedOcc 0
22 mol 284 unq 1 iso 0 dist 6.83147 7.43241 13.5089 8.84794 8.41504 14.711 numMergedOcc 0
23 mol 284 unq 2 iso 0 dist 7.43241 9.98268 17.2899 4.89439 4.86729 14.5191 numMergedOcc 0
24 mol 284 unq 3 iso 0 dist 7.43241 6.83147 13.5089 4.89439 4.86729 11.1846 numMergedOcc 0
