0 mol 8 unq 0 iso 0 dist 5.46588 6.52138 4.32141 4.77791 8.70858 9.42634 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.33936 8.70331 4.84198 12.2361 10.8147 7.72377 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 7.64235 7.7727 9.02592 14.3405 13.9779 7.16598 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 7.64235 7.7727 9.02592 14.4796 13.8746 9.14632 numMergedOcc 0
4 mol 41 unq 2 iso 0 dist 6.00623 7.7727 5.05474 14.3405 10.1388 7.16598 numMergedOcc 0
5 mol 41 unq 3 iso 0 dist 6.00623 7.7727 5.05474 14.4796 10.148 9.14632 numMergedOcc 0
6 mol 41 unq 4 iso 0 dist 6.59367 7.7727 7.42205 14.3405 10.8516 7.16598 numMergedOcc 0
7 mol 41 unq 5 iso 0 dist 6.59367 7.7727 7.42205 14.4796 9.22814 9.14632 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 7.2668 6.21471 3.63275 7.87504 6.54532 9.20673 numMergedOcc 0
9 mol 157 unq 0 iso 0 dist 9.66477 7.75542 3.77434 13.4755 10.9891 9.46735 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 8.4082 9.98689 13.398 5.54803 13.7142 9.54118 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.80433 8.99777 4.30589 3.82682 7.46024 8.92335 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 6.8285 8.99777 8.75635 3.82682 9.88516 8.92335 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 6.49786 7.32974 4.30589 4.84679 7.46024 8.92335 numMergedOcc 0
14 mol 186 unq 3 iso 0 dist 8.43154 7.32974 8.75635 4.84679 9.88516 8.92335 numMergedOcc 0
15 mol 228 unq 0 iso 0 dist 4.55699 6.9196 5.63283 14.3169 13.3836 9.45974 numMergedOcc 0
16 mol 228 unq 1 iso 0 dist 7.75418 6.9196 6.2012 14.3169 15.163 9.45974 numMergedOcc 0
17 mol 228 unq 2 iso 0 dist 8.10816 6.9196 3.65229 14.3169 8.2286 9.45974 numMergedOcc 0
18 mol 228 unq 3 iso 0 dist 7.95486 6.72203 3.62742 14.5139 8.5965 9.86348 numMergedOcc 0
19 mol 228 unq 4 iso 0 dist 4.42593 6.72203 5.34726 14.5139 13.1883 9.86348 numMergedOcc 0
20 mol 228 unq 5 iso 0 dist 7.33564 6.72203 5.64202 14.5139 14.8832 9.86348 numMergedOcc 0
21 mol 254 unq 0 iso 0 dist 8.5372 9.84028 6.19835 14.4681 13.9815 9.83135 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 7.58405 6.90472 6.03233 11.0725 10.3201 4.76164 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 7.26115 6.90472 7.66564 11.0725 11.7404 4.76164 numMergedOcc 0
