0 mol 0 unq 0 iso 0 dist 9.56804 18.9098 9.99338 17.1658 9.14271 9.15528 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.56804 11.6896 8.13129 17.1658 9.14271 15.8251 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.56804 14.5258 9.07223 17.1658 9.14271 12.6486 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 6.44674 6.53202 6.79837 4.27486 9.36902 5.60698 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.44674 10.2236 8.07369 4.27486 9.36902 10.0989 numMergedOcc 0
5 mol 157 unq 0 iso 0 dist 9.6597 8.44504 7.02823 10.0436 9.53818 8.11692 numMergedOcc 0
6 mol 157 unq 1 iso 0 dist 9.6597 8.44504 7.02823 11.4889 5.14587 6.38294 numMergedOcc 0
7 mol 157 unq 2 iso 0 dist 9.6597 8.44504 7.02823 6.58096 8.93257 6.74921 numMergedOcc 0
8 mol 157 unq 3 iso 0 dist 9.6597 8.44504 7.02823 6.19863 7.71842 8.09556 numMergedOcc 0
9 mol 157 unq 4 iso 0 dist 9.6597 12.1381 8.97404 10.0436 9.53818 7.24719 numMergedOcc 0
10 mol 157 unq 5 iso 0 dist 9.6597 12.1381 8.97404 11.4889 5.14587 8.0238 numMergedOcc 0
11 mol 157 unq 6 iso 0 dist 9.6597 12.1381 8.97404 6.58096 8.93257 15.6542 numMergedOcc 0
12 mol 157 unq 7 iso 0 dist 9.6597 12.1381 8.97404 6.19863 7.71842 6.41986 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 6.03616 4.358 6.95549 5.20902 7.41985 5.74662 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 7.47852 4.53957 5.82585 9.85949 6.50352 9.73871 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 7.52173 7.58207 5.82585 9.53631 6.50352 9.73871 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.24833 14.4831 6.29592 7.24284 7.17033 9.54789 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 6.91551 6.36962 8.25629 11.4986 7.83637 13.052 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 6.91551 14.3786 9.31373 11.4986 7.83637 8.32583 numMergedOcc 0
19 mol 225 unq 2 iso 0 dist 6.91551 12.3512 9.20561 11.4986 7.83637 9.16289 numMergedOcc 0
20 mol 225 unq 3 iso 0 dist 6.91551 14.2639 9.88976 11.4986 7.83637 16.6675 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 7.52379 11.1045 8.8949 4.38606 8.20201 10.6582 numMergedOcc 0
22 mol 237 unq 1 iso 0 dist 7.52379 11.1045 8.8949 5.32535 6.21939 13.3834 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 8.07907 7.97883 5.45139 14.3065 6.85567 11.169 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 8.07907 12.1813 8.10769 14.3065 6.85567 6.34419 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 6.15831 9.03043 9.72168 7.4144 6.65749 11.578 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 6.15831 9.03043 9.72168 3.86625 4.73652 7.7384 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 6.66661 6.9795 6.70271 12.0198 8.25037 9.25493 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 6.66661 5.09127 6.08532 12.0198 8.25037 7.42724 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 8.60916 5.9882 6.92434 4.36131 5.0002 5.29529 numMergedOcc 0
