0 mol 16 unq 0 iso 0 dist 7.88676 9.47421 5.1298 10.3638 9.57392 5.77753 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 6.67079 7.01944 4.11996 6.83662 9.77301 9.2881 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 7.14636 7.01944 5.27768 6.83662 12.5612 9.2881 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 6.08228 8.61926 7.41847 10.8544 12.8189 9.14856 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 8.36667 5.29487 9.46017 7.48749 15.3542 7.78321 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.98862 8.84839 9.76857 12.433 12.125 7.1249 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 8.63522 6.793 7.99081 5.51997 13.7049 9.50209 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 5.43401 6.793 6.83631 5.51997 10.1221 9.50209 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 6.54338 8.67153 7.89412 11.9917 15.5782 9.31319 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 9.39135 8.67153 5.1247 11.9917 14.228 9.31319 numMergedOcc 0
10 mol 130 unq 2 iso 0 dist 8.50054 8.98551 12.8248 14.9403 20.8602 9.31319 numMergedOcc 0
11 mol 130 unq 3 iso 0 dist 7.47653 8.98551 7.89412 14.9403 15.5782 9.31319 numMergedOcc 0
12 mol 130 unq 4 iso 0 dist 8.97124 8.98551 5.1247 14.9403 14.228 9.31319 numMergedOcc 0
13 mol 189 unq 0 iso 0 dist 8.23197 9.31713 4.97214 6.53924 11.5546 9.86267 numMergedOcc 0
14 mol 223 unq 0 iso 0 dist 7.57564 7.97754 6.83716 4.44076 7.22882 9.67035 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 7.62593 8.15582 10.2497 6.4556 5.90784 8.7868 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 7.62593 8.15582 10.2497 5.66462 9.97504 4.64336 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 5.2851 9.47836 9.95811 9.98274 14.1067 9.69775 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.00654 4.57548 5.28695 6.54029 10.121 5.73804 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 8.87405 9.95186 4.8589 4.98313 5.12827 7.76881 numMergedOcc 0
20 mol 293 unq 0 iso 0 dist 8.8788 8.88355 4.91842 10.8403 11.7984 7.59622 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 8.60441 8.73893 7.47947 7.6162 10.5152 9.20616 numMergedOcc 0
22 mol 294 unq 1 iso 0 dist 6.97558 8.73893 5.08713 7.6162 10.7529 9.20616 numMergedOcc 0
