0 mol 33 unq 0 iso 0 dist 7.26522 7.71372 8.00177 8.96951 11.6774 8.83487 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.7979 7.83082 8.00177 16.2777 11.6774 8.83487 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.16411 14.5415 7.52117 12.9136 5.1728 9.6782 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.40964 9.40813 8.65802 10.509 5.8102 7.52354 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 5.5606 4.77991 6.34525 10.5001 8.51024 6.84011 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 8.02258 13.0477 7.86572 5.66405 5.38571 9.97343 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 4.49707 5.00649 8.00506 5.99212 4.56165 6.45896 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.05288 7.12332 9.17364 14.7907 11.9672 9.39352 numMergedOcc 0
8 mol 195 unq 0 iso 0 dist 7.92844 9.70055 6.60567 13.4264 6.0634 7.36683 numMergedOcc 0
9 mol 195 unq 1 iso 0 dist 7.92844 9.70055 6.60567 9.854 6.74112 6.95086 numMergedOcc 0
10 mol 195 unq 2 iso 0 dist 7.92844 9.9116 7.62942 13.4264 6.0634 9.26504 numMergedOcc 0
11 mol 212 unq 0 iso 0 dist 4.72269 5.3615 6.29767 6.80332 9.75095 9.74144 numMergedOcc 0
12 mol 212 unq 1 iso 0 dist 4.72269 5.3615 6.29767 12.6328 12.8059 8.69988 numMergedOcc 0
13 mol 212 unq 2 iso 0 dist 4.72269 5.3615 6.29767 12.7684 10.7914 8.55903 numMergedOcc 0
14 mol 212 unq 3 iso 0 dist 4.72269 5.3615 6.29767 7.64336 9.63281 7.15603 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 9.49829 5.01259 6.39158 11.3241 7.85398 6.36341 numMergedOcc 0
16 mol 237 unq 0 iso 0 dist 6.32364 5.61566 6.50471 11.2863 6.12402 9.60163 numMergedOcc 0
17 mol 240 unq 0 iso 0 dist 8.67485 5.36005 9.47583 11.0543 15.5587 6.68687 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.35413 5.38982 6.70815 7.87648 8.10604 7.21311 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 9.56438 12.3922 6.43341 13.7763 5.89415 9.09855 numMergedOcc 0
