0 mol 5 unq 0 iso 0 dist 8.70824 11.97 9.17088 4.42081 8.97274 12.8419 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.76585 10.0424 9.21978 4.89928 6.57633 6.43237 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.76585 12.7554 8.03754 4.89928 6.57633 8.6477 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.82294 11.9545 9.15386 14.2658 7.11238 5.49106 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.33989 11.9403 7.46657 6.69911 6.55112 5.31985 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.57953 9.03147 7.46657 3.94216 6.55112 5.31985 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.73946 6.75472 7.9258 5.33827 7.84768 4.48636 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.48694 16.0605 9.19659 17.5356 8.88752 5.84588 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 6.65267 4.45869 9.19659 3.84992 8.88752 5.84588 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.66811 13.3909 8.41774 9.69359 7.94976 7.68889 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.02356 5.01007 8.57712 5.05961 8.99128 7.10286 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.80952 6.84127 9.99005 6.34731 7.68074 10.115 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 8.80952 6.84127 9.99005 15.1374 9.1854 17.6575 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 5.60956 6.59758 8.41715 9.43003 8.18217 4.67135 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 5.60956 6.59758 8.41715 8.01699 5.51167 13.2594 numMergedOcc 0
15 mol 168 unq 2 iso 0 dist 5.60956 5.81821 7.79893 9.43003 8.18217 9.87321 numMergedOcc 0
16 mol 168 unq 3 iso 0 dist 5.60956 5.81821 7.79893 8.01699 5.51167 10.7557 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 9.05865 7.71028 9.32245 10.2179 9.66676 4.78249 numMergedOcc 0
18 mol 172 unq 0 iso 0 dist 8.03804 8.00989 9.18538 6.10152 8.03455 9.71456 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 5.13534 4.3226 7.7544 4.76079 5.97971 5.71898 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 9.35664 8.95444 7.04524 14.1853 9.20541 6.04871 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 9.35664 8.95444 7.04524 6.61517 6.65077 8.04534 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 5.81277 4.78067 6.23932 11.8763 9.79826 8.97813 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 5.05912 4.2475 6.23932 6.10058 9.79826 8.97813 numMergedOcc 0
24 mol 205 unq 2 iso 0 dist 6.60429 6.8901 6.23932 3.50446 9.79826 8.97813 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.83514 5.65577 4.80834 3.68226 5.52788 7.06793 numMergedOcc 0
26 mol 271 unq 0 iso 0 dist 6.96986 8.72109 9.42899 4.45954 9.86908 11.7592 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 9.57019 6.08754 7.85804 5.54089 6.59712 4.51728 numMergedOcc 0
