0 mol 7 unq 0 iso 0 dist 8.80895 6.64176 4.60206 6.70503 5.51421 5.99972 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.80895 6.64176 4.60206 7.6899 7.81271 9.68006 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.00876 6.64176 4.05107 6.70503 9.58422 5.99972 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.00876 6.64176 4.05107 7.6899 13.599 9.68006 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 4.85282 6.02731 7.46975 11.4221 14.3699 7.56205 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 4.85282 6.02731 7.46975 4.05764 8.1599 4.74544 numMergedOcc 0
6 mol 65 unq 0 iso 0 dist 7.62028 8.70783 6.59475 10.8737 8.76461 6.72639 numMergedOcc 0
7 mol 65 unq 1 iso 0 dist 7.62028 8.70783 6.59475 9.96191 11.2698 6.76508 numMergedOcc 0
8 mol 65 unq 2 iso 0 dist 9.61118 8.70783 15.7536 10.8737 20.0114 6.72639 numMergedOcc 0
9 mol 65 unq 3 iso 0 dist 9.61118 8.70783 15.7536 9.96191 17.8368 6.76508 numMergedOcc 0
10 mol 65 unq 4 iso 0 dist 8.72097 8.70783 12.9305 10.8737 17.1201 6.72639 numMergedOcc 0
11 mol 65 unq 5 iso 0 dist 8.72097 8.70783 12.9305 9.96191 13.6132 6.76508 numMergedOcc 0
12 mol 67 unq 0 iso 0 dist 5.77675 5.86118 4.31746 6.24947 11.3095 9.49144 numMergedOcc 0
13 mol 68 unq 0 iso 0 dist 8.25884 8.59945 10.0241 8.48982 12.2463 6.36086 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 8.08937 8.11279 4.86724 6.20162 10.0257 8.76378 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.04398 5.7085 9.59657 11.4228 16.0519 8.8822 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 4.76012 7.98622 4.92611 8.48942 6.38163 7.58957 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.80094 8.80059 16.5533 14.4671 22.5247 7.44629 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 9.03681 8.80059 9.91815 14.4671 13.3967 7.44629 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 7.7195 8.53734 4.98945 11.071 6.07091 9.61462 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 9.43988 8.53734 13.7258 11.071 19.5671 9.61462 numMergedOcc 0
21 mol 171 unq 2 iso 0 dist 8.30819 6.08141 4.98945 10.3893 6.07091 9.61462 numMergedOcc 0
22 mol 180 unq 0 iso 0 dist 8.65601 8.66298 11.297 5.31 10.706 5.85827 numMergedOcc 0
23 mol 180 unq 1 iso 0 dist 5.78414 8.66298 4.11186 5.31 5.80441 5.85827 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 5.39622 8.28099 5.18732 14.6912 11.5247 7.76163 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 5.39622 8.28099 5.18732 6.15341 9.44405 8.73217 numMergedOcc 0
26 mol 196 unq 0 iso 0 dist 8.09572 4.83135 10.2655 6.85258 13.5706 6.70531 numMergedOcc 0
27 mol 196 unq 1 iso 0 dist 8.09572 4.83135 10.2655 9.99132 10.7813 6.86319 numMergedOcc 0
28 mol 212 unq 0 iso 0 dist 7.67675 7.89739 6.48939 5.19318 5.87223 8.69988 numMergedOcc 0
29 mol 212 unq 1 iso 0 dist 7.67675 6.12161 5.81626 5.19318 5.87223 8.55903 numMergedOcc 0
30 mol 212 unq 2 iso 0 dist 7.35349 8.06858 4.69067 10.1617 8.062 9.74144 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 8.15743 8.70651 6.36084 9.88635 7.70279 8.50102 numMergedOcc 0
32 mol 232 unq 1 iso 0 dist 8.15743 8.70651 6.36084 5.08111 9.29752 9.40808 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 5.67249 8.88567 6.06471 5.19951 7.46434 6.30154 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 5.67249 9.45787 11.1213 5.19951 7.46434 7.32499 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 6.5095 7.24253 10.2558 6.54531 11.3838 7.49645 numMergedOcc 0
36 mol 243 unq 1 iso 0 dist 6.5095 7.24253 10.2558 11.6229 15.2774 9.9222 numMergedOcc 0
37 mol 243 unq 2 iso 0 dist 5.1766 7.24253 3.87679 6.54531 6.86162 7.49645 numMergedOcc 0
38 mol 243 unq 3 iso 0 dist 5.1766 7.24253 3.87679 11.6229 10.0226 9.9222 numMergedOcc 0
39 mol 251 unq 0 iso 0 dist 8.3966 7.59626 4.01393 4.80531 8.39644 8.68707 numMergedOcc 0
40 mol 251 unq 1 iso 0 dist 5.34851 7.52286 4.01393 5.60154 8.39644 8.68707 numMergedOcc 0
