0 mol 26 unq 0 iso 0 dist 5.98456 4.29919 8.35396 9.18269 13.1887 5.497 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.26289 4.34206 7.43769 11.3951 8.97644 7.21995 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 8.26289 4.34206 7.43769 10.5007 5.20813 7.70625 numMergedOcc 0
3 mol 45 unq 2 iso 0 dist 8.26289 6.01868 5.2315 11.3951 8.97644 9.62637 numMergedOcc 0
4 mol 45 unq 3 iso 0 dist 8.26289 6.01868 5.2315 10.5007 5.20813 6.01423 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 8.11934 5.87788 9.57333 8.17564 10.9396 9.43355 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.57191 15.0409 9.69315 14.9098 6.23984 8.10446 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.57112 12.9454 9.18792 7.90328 4.07616 7.09065 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.10397 5.11507 6.97739 10.6166 6.47927 6.0652 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.43487 14.8221 5.9758 11.4507 3.85992 7.33541 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.97052 13.6711 5.9758 13.2053 3.85992 7.33541 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 7.3324 9.69428 5.9758 5.44714 3.85992 7.33541 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 6.8458 5.21101 5.32751 7.50886 9.35355 9.83981 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 6.8458 5.21101 5.32751 7.25217 5.27716 6.13559 numMergedOcc 0
14 mol 114 unq 2 iso 0 dist 6.8458 5.21101 5.32751 10.853 9.60224 6.51395 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 4.80778 8.9356 8.966 12.1232 11.2663 9.50664 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.58803 6.26174 8.966 13.3981 11.2663 9.50664 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 9.96967 5.53181 8.966 13.7651 11.2663 9.50664 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 6.31523 14.5316 8.966 15.0113 11.2663 9.50664 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 9.64841 13.1585 9.87021 19.0296 12.0468 8.73468 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 9.64841 12.5438 7.34023 19.0296 12.0468 9.73927 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 9.5865 13.166 9.96938 19.003 12.1191 8.73558 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 9.5865 12.5712 7.35268 19.003 12.1191 9.66129 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 9.33272 5.18732 7.81069 9.08641 8.25316 9.84492 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 7.11512 3.96327 7.3216 12.3942 12.5901 9.27395 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 7.01175 12.0055 9.60449 12.6334 9.57643 9.71152 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 7.50074 15.6957 9.60449 12.3426 9.57643 9.71152 numMergedOcc 0
