0 mol 9 unq 0 iso 0 dist 9.45451 10.699 8.59513 7.38646 4.09467 5.71201 5.09857 12.044 10.2644 8.55446 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.45451 10.699 8.59513 7.38646 4.09467 5.71201 5.86578 9.77636 6.17866 6.59455 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 7.30932 14.5484 9.17574 9.64891 4.71687 9.38807 10.4755 8.79953 6.70642 9.17211 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 7.30932 10.4755 8.79953 9.64891 4.71687 9.17211 14.5484 9.17574 6.70642 9.38807 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.47596 4.47203 6.53981 11.3995 10.0772 7.03307 7.11688 9.14809 5.25016 7.25707 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 7.47596 7.11688 9.14809 11.3995 10.0772 7.25707 4.47203 6.53981 5.25016 7.03307 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.41675 7.73074 8.47526 16.466 16.0667 8.92828 12.0895 13.2907 5.37172 5.56627 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 8.41675 7.73074 8.47526 11.1333 9.93041 5.44303 12.0895 13.2907 5.37172 8.50562 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 6.63808 11.5311 7.02963 17.8789 15.0661 9.40325 11.0023 10.0795 6.35752 7.62606 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 7.57472 6.69013 4.92382 16.2539 11.2139 9.78667 12.7134 8.38715 6.33946 6.73983 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 7.57472 6.69013 4.92382 16.2539 11.2139 9.78667 19.2692 13.9606 12.8394 7.64956 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 7.57472 6.69013 4.92382 14.0542 10.7006 8.47026 12.7134 8.38715 6.33946 8.6387 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.45086 9.57677 8.2241 14.3389 8.54557 7.02575 15.8465 11.9345 6.68665 4.5271 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 6.10013 10.7013 6.21262 7.46207 5.43768 8.43187 9.7127 11.7052 12.9373 7.8141 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.33245 10.4275 9.30639 7.11989 3.98816 9.08955 9.86636 6.24462 6.85131 8.88664 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 8.33245 10.4275 9.30639 7.11989 3.98816 9.08955 5.78833 6.02034 6.76935 7.16819 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 8.33245 9.86636 6.24462 7.11989 3.98816 8.88664 10.4275 9.30639 6.85131 9.08955 numMergedOcc 0
17 mol 222 unq 3 iso 0 dist 8.33245 9.86636 6.24462 7.11989 3.98816 8.88664 5.78833 6.02034 4.19322 7.16819 numMergedOcc 0
18 mol 222 unq 4 iso 0 dist 8.33245 5.78833 6.02034 7.11989 3.98816 7.16819 10.4275 9.30639 6.76935 9.08955 numMergedOcc 0
19 mol 222 unq 5 iso 0 dist 8.33245 5.78833 6.02034 7.11989 3.98816 7.16819 9.86636 6.24462 4.19322 8.88664 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 4.76819 10.7624 9.89191 11.3051 9.61604 7.38566 8.15893 9.83281 5.77703 8.28466 numMergedOcc 0
