0 mol 5 unq 0 iso 0 dist 8.62847 6.66949 3.14155 7.24092 9.22027 7.50453 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.77987 7.63824 7.63404 4.09817 10.6899 9.58192 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.48994 5.78231 5.33785 9.26879 10.1837 8.78511 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 9.07954 6.64146 5.70395 4.85938 12.9185 9.11764 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.09973 6.58981 3.73834 5.81231 9.53846 8.93807 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.25047 8.63792 3.35924 9.51274 10.8507 9.57759 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.7452 6.75985 5.73949 7.18166 9.87994 4.62636 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.15081 6.75985 3.12382 7.18166 7.20211 4.62636 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.0675 9.98215 15.2673 3.94084 8.75345 8.72957 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 5.93365 6.98134 3.43966 8.3164 10.1658 9.87354 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 6.99944 8.55413 3.43966 14.4915 10.1658 9.87354 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 8.51753 8.97914 4.69348 6.17631 8.40821 7.91458 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 6.68721 6.51748 11.6769 9.50276 15.987 6.77583 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 8.90926 8.73302 12.1721 10.5797 16.059 5.23187 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.28282 6.91764 3.11607 5.72704 9.98715 7.36794 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.28282 6.91764 3.11607 5.72963 8.39342 5.81881 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 6.58055 7.45508 3.13463 10.7383 10.7813 7.97504 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 7.1699 9.11501 9.98348 5.75884 11.6305 8.51564 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.98518 8.15636 16.9188 6.60353 15.8911 6.22311 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 7.51385 6.05363 7.98095 11.2805 15.8911 8.06767 numMergedOcc 0
20 mol 287 unq 2 iso 0 dist 7.51385 6.05363 7.98095 6.24038 11.5649 9.91087 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 9.98518 8.15636 16.9188 6.60353 15.8911 6.22311 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 7.51385 6.05363 7.98095 11.2805 15.8911 8.06767 numMergedOcc 0
23 mol 288 unq 2 iso 0 dist 7.51385 6.05363 7.98095 6.24038 11.5649 9.91087 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 9.98518 8.15636 16.9188 6.60353 15.8911 6.22311 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 7.51385 6.05363 7.98095 11.2805 15.8911 8.06767 numMergedOcc 0
26 mol 289 unq 2 iso 0 dist 7.51385 6.05363 7.98095 6.24038 11.5649 9.91087 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.65996 9.15937 5.36842 6.49965 6.22943 9.21469 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 9.13412 9.15937 3.08474 6.49965 9.23612 9.21469 numMergedOcc 0
