0 mol 17 unq 0 iso 0 dist 5.41678 7.79465 6.76604 9.31896 7.18716 4.0384 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.9175 12.4087 8.38139 8.42234 6.77802 5.7037 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.66493 5.99169 7.61513 4.10723 8.51839 3.30756 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.75432 6.37499 8.19721 3.89181 7.49792 4.29679 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 8.45469 6.37499 6.84323 3.89181 6.58981 4.29679 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 8.45469 11.7209 7.24768 3.89181 6.58981 8.07308 numMergedOcc 0
6 mol 62 unq 3 iso 0 dist 8.45469 12.8894 8.51622 3.89181 6.58981 10.3525 numMergedOcc 0
7 mol 62 unq 4 iso 0 dist 7.63855 8.53924 8.19721 5.4275 6.51901 3.70802 numMergedOcc 0
8 mol 62 unq 5 iso 0 dist 7.63855 4.38006 6.84323 5.4275 6.51901 3.66673 numMergedOcc 0
9 mol 62 unq 6 iso 0 dist 5.48766 4.38006 7.24768 5.4275 9.1926 3.66673 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.24764 5.40682 7.52742 10.8634 8.15861 7.14242 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.24764 5.40682 7.52742 11.7351 9.27814 15.6495 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 9.24651 6.74414 7.38568 6.8994 6.02596 4.66066 numMergedOcc 0
13 mol 90 unq 1 iso 0 dist 4.5401 6.74414 8.6767 6.8994 8.17454 4.66066 numMergedOcc 0
14 mol 90 unq 2 iso 0 dist 4.5401 6.64552 9.93577 6.8994 8.17454 10.526 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 7.04155 4.54745 9.00874 7.0652 8.92653 3.27874 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 8.98691 8.21983 6.4081 13.5194 9.98215 5.47525 numMergedOcc 0
17 mol 96 unq 0 iso 0 dist 7.05183 6.82989 6.89038 6.10205 8.95766 4.81353 numMergedOcc 0
18 mol 96 unq 1 iso 0 dist 7.05183 6.82989 6.89038 10.0347 8.6548 6.0108 numMergedOcc 0
19 mol 182 unq 0 iso 0 dist 5.58048 8.49636 7.37431 7.34804 8.54982 4.26532 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 5.00508 8.24241 9.64578 5.9338 7.45508 9.1722 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 5.00508 8.24241 9.64578 8.28284 5.79883 11.457 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 5.00508 5.3748 7.02833 5.9338 7.45508 11.2097 numMergedOcc 0
23 mol 239 unq 3 iso 0 dist 5.00508 5.3748 7.02833 8.28284 5.79883 6.10489 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 9.79394 4.88562 9.18565 16.2332 7.43535 16.2801 numMergedOcc 0
25 mol 281 unq 1 iso 0 dist 6.52115 5.91239 9.18565 12.9503 7.43535 16.2801 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 8.62338 5.22713 5.06731 7.52677 8.15636 6.00938 numMergedOcc 0
27 mol 287 unq 1 iso 0 dist 8.62338 5.22713 5.06731 9.46641 7.86292 4.88961 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 8.62338 5.22713 5.06731 7.52677 8.15636 6.00938 numMergedOcc 0
29 mol 288 unq 1 iso 0 dist 8.62338 5.22713 5.06731 9.46641 7.86292 4.88961 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 8.62338 5.22713 5.06731 7.52677 8.15636 6.00938 numMergedOcc 0
31 mol 289 unq 1 iso 0 dist 8.62338 5.22713 5.06731 9.46641 7.86292 4.88961 numMergedOcc 0
