0 mol 43 unq 0 iso 0 dist 8.06275 14.8755 8.47617 5.71662 9.74445 17.2393 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 5.00932 8.47617 18.5048 9.74445 17.2393 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 6.35333 5.81652 6.6657 5.97717 9.18371 5.23796 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 9.16277 5.66849 6.6657 5.63651 9.18371 5.23796 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 8.85873 5.19804 5.25504 11.2532 6.36021 6.28243 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 9.9633 12.0707 8.93253 9.40358 7.21229 9.6516 numMergedOcc 0
6 mol 110 unq 1 iso 0 dist 7.77678 6.99654 8.1306 11.5698 5.25492 9.6516 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 6.34542 10.1386 7.42431 11.5209 8.42147 6.48732 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 6.85647 8.33083 5.27855 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 5.80854 9.10619 17.3026 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 6.1397 8.0974 7.17894 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 8.04723 12.3996 8.63718 6.1397 8.0974 15.0874 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.52413 15.6548 7.09426 4.62432 7.66381 12.2153 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 9.36732 14.2286 7.23126 7.21567 6.76923 13.7733 numMergedOcc 0
14 mol 196 unq 1 iso 0 dist 9.36732 16.543 7.82805 7.21567 6.76923 12.3428 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 7.70631 10.0858 9.14737 16.2482 8.64255 15.3424 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 9.73691 9.92307 8.48081 11.0017 4.58599 11.6202 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 9.73691 9.92307 8.48081 10.4464 8.78568 15.8119 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.39537 5.81253 8.39522 6.39493 9.75174 11.1968 numMergedOcc 0
19 mol 248 unq 0 iso 0 dist 7.40475 11.4636 9.5107 11.0674 8.71859 10.5215 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.151 8.68474 6.70123 13.1772 9.98528 6.00086 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 7.23956 5.13652 9.64889 7.09461 6.90434 6.7593 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 8.33977 13.3428 6.70123 17.7336 9.98528 6.00086 numMergedOcc 0
