0 mol 48 unq 0 iso 0 dist 8.38139 6.77802 5.7037 4.62339 11.1295 7.37491 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.38139 9.07283 3.42062 5.24524 7.77714 9.77004 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.12277 6.58179 5.32648 7.01781 6.71884 8.0388 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.61513 8.51839 3.30756 6.25934 9.97224 9.2934 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.19721 6.51901 3.70802 11.6906 10.3322 9.52356 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 6.84323 6.51901 3.66673 11.6906 13.1423 9.52356 numMergedOcc 0
6 mol 62 unq 2 iso 0 dist 7.24768 9.1926 3.66673 16.8488 13.1423 9.52356 numMergedOcc 0
7 mol 81 unq 0 iso 0 dist 7.91009 4.95504 3.3881 8.80404 10.4602 9.61211 numMergedOcc 0
8 mol 81 unq 1 iso 0 dist 4.39121 4.95504 3.93741 8.80404 11.4868 9.61211 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.52742 9.27814 15.6495 15.4847 22.8241 9.22903 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 9.00874 8.23294 8.70619 6.433 11.7622 7.37377 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 5.68841 8.51084 3.83194 5.25493 7.95205 8.48433 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 5.68841 6.33923 7.42165 4.53184 8.38367 7.36025 numMergedOcc 0
13 mol 111 unq 2 iso 0 dist 5.68841 9.9801 7.93667 4.53184 8.38367 9.60251 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 7.24083 9.01881 11.7364 5.20574 9.98988 8.636 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 8.27008 6.01995 5.27905 6.6767 11.2703 6.30568 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 6.21825 4.67031 3.71345 5.74134 6.02559 7.69241 numMergedOcc 0
17 mol 176 unq 1 iso 0 dist 6.21825 8.98043 8.25138 5.74134 6.02559 7.77962 numMergedOcc 0
18 mol 176 unq 2 iso 0 dist 6.21825 6.8243 7.10617 5.74134 6.02559 8.6431 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.52744 7.00382 8.73397 4.18399 9.61589 8.51947 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.64578 7.45508 9.1722 11.0598 15.1528 7.01673 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 7.02833 7.45508 11.2097 11.0598 12.1205 7.01673 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.39009 9.50155 4.21164 6.00086 12.136 9.98309 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 9.74822 7.17276 9.8348 5.08363 5.78449 8.91437 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 5.06731 8.15636 6.00938 12.4032 12.9959 7.81225 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 5.06731 8.15636 6.00938 12.4032 12.9959 7.81225 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 5.06731 8.15636 6.00938 12.4032 12.9959 7.81225 numMergedOcc 0
