0 mol 78 unq 0 iso 0 dist 5.8992 9.29446 11.5966 5.10071 7.03274 14.0656 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 8.86938 7.42474 14.5975 13.8988 9.13413 19.74 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 6.99793 6.71345 11.6284 9.74115 7.91231 11.1736 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 8.64107 9.50575 10.4152 4.97528 6.61066 6.3982 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 9.50575 8.64107 10.4152 4.97528 6.3982 6.61066 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 8.43116 6.23645 6.5838 10.0493 6.3982 11.6013 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.00172 8.66715 8.18495 11.693 7.85025 13.0581 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 4.68975 8.84656 7.11631 4.68337 8.31743 13.131 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 4.68975 4.9155 5.79898 4.68337 8.31743 8.5778 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 4.9155 4.68975 5.79898 4.68337 8.5778 8.31743 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 4.9155 8.84656 5.00817 4.68337 8.5778 13.131 numMergedOcc 0
11 mol 134 unq 4 iso 0 dist 5.50687 8.31276 13.7309 5.84146 7.31419 9.92467 numMergedOcc 0
12 mol 134 unq 5 iso 0 dist 5.50687 5.79157 7.09823 5.84146 7.31419 9.11672 numMergedOcc 0
13 mol 134 unq 6 iso 0 dist 5.50687 7.30919 6.90348 5.84146 7.31419 12.4741 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 6.18446 9.96544 5.43601 7.6839 7.18765 7.41091 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 9.96544 6.18446 5.43601 7.6839 7.41091 7.18765 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 6.22964 5.82039 7.08143 7.72978 6.18991 11.692 numMergedOcc 0
17 mol 206 unq 1 iso 0 dist 6.22964 5.82039 7.08143 6.21219 8.68547 11.6563 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.14464 9.93754 16.5576 4.20749 6.51997 12.2976 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.39537 8.97461 14.0328 10.2639 9.94587 10.3089 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 9.39537 8.89487 15.8898 10.2639 9.94587 15.6488 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 8.97461 9.39537 14.0328 5.83394 9.09166 9.77913 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 8.97461 8.89487 6.85126 5.83394 9.09166 12.5761 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 6.95233 9.61741 13.0015 9.07546 8.82941 12.1649 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 6.95233 5.61056 7.49927 9.07546 8.82941 11.4813 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 7.151 8.53324 7.69449 7.90123 5.22392 8.20217 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 7.151 7.23956 11.8268 7.90123 5.22392 11.4928 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 8.53324 7.151 7.69449 6.5109 8.23147 10.0577 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 8.53324 7.151 7.69449 7.90123 8.20217 5.22392 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 8.53324 7.23956 7.08227 6.5109 8.23147 6.49176 numMergedOcc 0
30 mol 277 unq 5 iso 0 dist 8.53324 7.23956 7.08227 7.90123 8.20217 11.4928 numMergedOcc 0
31 mol 277 unq 6 iso 0 dist 7.23956 7.151 11.8268 13.4588 6.86014 18.2066 numMergedOcc 0
32 mol 277 unq 7 iso 0 dist 7.23956 7.151 11.8268 6.34637 5.97073 12.8364 numMergedOcc 0
33 mol 277 unq 8 iso 0 dist 7.23956 7.151 11.8268 6.5109 6.49176 10.0577 numMergedOcc 0
34 mol 277 unq 9 iso 0 dist 7.23956 8.53324 7.08227 13.4588 6.86014 12.4435 numMergedOcc 0
35 mol 277 unq 10 iso 0 dist 7.23956 8.53324 7.08227 6.34637 5.97073 11.2713 numMergedOcc 0
36 mol 277 unq 11 iso 0 dist 7.23956 8.53324 7.08227 6.5109 6.49176 8.23147 numMergedOcc 0
37 mol 277 unq 12 iso 0 dist 8.33977 8.66941 7.69449 4.10842 5.22392 8.20217 numMergedOcc 0
38 mol 277 unq 13 iso 0 dist 8.66941 8.33977 7.69449 8.42001 8.23147 10.0577 numMergedOcc 0
39 mol 277 unq 14 iso 0 dist 8.66941 8.33977 7.69449 4.10842 8.20217 5.22392 numMergedOcc 0
