0 mol 8 unq 0 iso 0 dist 6.57999 7.77271 12.9498 11.5556 9.01112 15.5373 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.39243 8.95294 7.04695 4.95319 5.65084 5.04478 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 9.1715 7.19022 7.04695 6.19959 5.65084 5.04478 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 5.00126 7.54441 6.42104 7.71511 8.70192 14.3743 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 5.00126 9.84326 6.42248 7.71511 8.70192 14.1214 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 9.17045 7.62709 7.39653 6.3858 5.94756 5.81001 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.96238 7.93388 6.28202 12.9131 9.03564 13.0532 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.90776 7.36397 12.219 5.30951 7.13008 12.1198 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 5.90776 6.58062 9.97281 5.30951 7.13008 10.8197 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.62866 7.81181 6.95201 6.76872 5.7144 5.51885 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.97043 8.77794 10.8292 7.34308 6.39384 12.9982 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.33945 6.66749 8.94456 9.88758 9.27976 13.2618 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 7.47975 6.68441 6.49376 7.21999 9.36259 12.0832 numMergedOcc 0
13 mol 159 unq 1 iso 0 dist 7.47975 8.0059 6.21916 7.21999 9.36259 13.5493 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 11.9701 9.76212 14.5897 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 8.90247 5.54873 4.77278 11.9701 9.76212 12.3788 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 6.58792 9.30874 10.5753 11.9701 8.59874 14.5897 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 6.58792 5.54873 5.88819 11.9701 8.59874 12.3788 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 8.3705 9.75763 6.08211 4.29894 9.03441 12.3988 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 8.96639 7.90344 10.2681 9.54858 8.82351 15.4301 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.68797 8.50767 7.69081 5.03816 6.35028 6.0283 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 5.70546 6.10834 5.34838 6.39046 7.24366 11.0415 numMergedOcc 0
