0 mol 34 unq 0 iso 0 dist 9.78064 8.87762 6.75665 12.9926 13.8781 7.18022 4.96658 9.99145 9.41098 13.1004 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 4.93315 5.6359 5.91118 11.4221 13.6275 9.69044 4.85685 8.96898 9.19512 14.3608 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 4.93315 5.6359 5.91118 4.05764 8.54481 6.9103 4.85685 8.96898 9.19512 5.9487 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 7.72671 5.35145 3.83735 6.45647 12.0054 8.3733 5.88789 9.10001 5.88409 4.04753 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.814 8.76815 3.89663 11.0447 10.8795 9.8703 11.2448 11.9342 8.19932 10.9724 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 8.814 8.76815 3.89663 5.4779 7.89424 7.39665 11.2448 11.9342 8.19932 10.6721 numMergedOcc 0
6 mol 222 unq 0 iso 0 dist 6.92032 7.79613 9.52871 5.02064 10.6624 5.56538 13.8153 18.0348 8.88902 8.89157 numMergedOcc 0
7 mol 225 unq 0 iso 0 dist 8.48738 6.20862 6.83312 4.72643 9.98376 8.1945 13.4094 15.0853 8.74463 14.2198 numMergedOcc 0
8 mol 225 unq 1 iso 0 dist 8.48738 6.20862 6.83312 9.6289 10.9288 6.50998 13.4094 15.0853 8.74463 9.72811 numMergedOcc 0
9 mol 243 unq 0 iso 0 dist 9.87759 7.42359 16.6479 13.504 21.8729 8.69318 6.56644 14.3054 9.53137 16.0709 numMergedOcc 0
10 mol 243 unq 1 iso 0 dist 6.0854 7.42359 13.1212 13.504 17.7959 8.69318 6.56644 11.0672 9.53137 16.0709 numMergedOcc 0
11 mol 243 unq 2 iso 0 dist 7.86504 7.42359 13.3646 13.504 19.5101 8.69318 6.56644 12.8459 9.53137 16.0709 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 9.53867 9.51394 5.06236 6.89449 7.7743 7.45616 5.28038 5.55176 4.93516 3.65199 numMergedOcc 0
13 mol 288 unq 0 iso 0 dist 9.53867 9.51394 5.06236 6.89449 7.7743 7.45616 5.28038 5.55176 4.93516 3.65199 numMergedOcc 0
14 mol 289 unq 0 iso 0 dist 9.53867 9.51394 5.06236 6.89449 7.7743 7.45616 5.28038 5.55176 4.93516 3.65199 numMergedOcc 0
