0 mol 1 unq 0 iso 0 dist 9.48433 8.3673 4.50502 8.83387 9.98747 9.67796 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 4.89563 9.60736 6.91314 7.57076 4.46295 10.6969 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.27448 9.41386 4.95627 8.69224 7.60393 5.8487 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.27448 4.71964 6.8396 8.69224 7.60393 9.34154 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.27448 6.58478 8.37381 8.69224 7.60393 12.624 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.07927 9.41386 9.31841 8.69224 7.23535 5.8487 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 9.07927 4.71964 6.10919 8.69224 7.23535 9.34154 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 9.07927 6.58478 10.5564 8.69224 7.23535 12.624 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 8.50987 9.41386 12.6859 8.69224 9.92243 5.8487 numMergedOcc 0
9 mol 25 unq 7 iso 0 dist 8.50987 4.71964 5.86705 8.69224 9.92243 9.34154 numMergedOcc 0
10 mol 25 unq 8 iso 0 dist 8.50987 6.58478 10.7201 8.69224 9.92243 12.624 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 8.30291 5.48283 5.68906 6.0827 6.8858 3.73834 numMergedOcc 0
12 mol 62 unq 1 iso 0 dist 8.30291 8.18866 9.77663 6.0827 6.8858 6.1737 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 7.36475 5.65006 6.77898 5.61831 3.69293 3.35924 numMergedOcc 0
14 mol 78 unq 0 iso 0 dist 7.03274 9.80945 8.17206 9.73305 6.10633 5.85766 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 8.71603 5.90605 9.08023 5.43098 4.47193 5.70431 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 8.71603 5.90605 9.08023 9.40555 12.8972 5.46288 numMergedOcc 0
17 mol 88 unq 2 iso 0 dist 8.71603 9.0645 10.4448 5.43098 4.47193 9.05425 numMergedOcc 0
18 mol 88 unq 3 iso 0 dist 8.71603 9.0645 10.4448 9.40555 12.8972 3.13774 numMergedOcc 0
19 mol 90 unq 0 iso 0 dist 8.14057 7.15918 6.49362 7.30934 10.6242 5.4118 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 6.12388 7.54622 4.27109 9.70317 4.91553 3.66183 numMergedOcc 0
21 mol 135 unq 0 iso 0 dist 9.13451 8.55869 11.2455 5.60595 10.9403 4.98191 numMergedOcc 0
22 mol 135 unq 1 iso 0 dist 9.13451 6.65965 8.50814 5.60595 10.9403 5.83178 numMergedOcc 0
23 mol 135 unq 2 iso 0 dist 9.171 8.55869 5.69612 5.60595 8.06169 4.98191 numMergedOcc 0
24 mol 135 unq 3 iso 0 dist 9.171 6.65965 3.95636 5.60595 8.06169 5.83178 numMergedOcc 0
25 mol 168 unq 0 iso 0 dist 7.53748 8.96534 11.2701 8.47439 4.07587 14.2042 numMergedOcc 0
26 mol 168 unq 1 iso 0 dist 7.53748 8.65328 9.87321 8.47439 4.07587 10.919 numMergedOcc 0
27 mol 168 unq 2 iso 0 dist 7.53748 5.69346 5.16335 8.47439 4.07587 6.65321 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 8.68992 5.98495 3.65288 8.00826 7.36886 8.19592 numMergedOcc 0
29 mol 182 unq 0 iso 0 dist 6.32172 6.39008 4.88992 6.78641 6.45169 3.53123 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 5.07968 9.72819 9.82834 9.54857 4.86965 13.6485 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 5.07968 9.72819 9.82834 8.73456 3.7812 10.687 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 8.19458 7.42359 11.8376 8.35328 15.2258 7.66826 numMergedOcc 0
33 mol 243 unq 1 iso 0 dist 9.45133 7.42359 12.0468 8.35328 13.9912 7.66826 numMergedOcc 0
34 mol 257 unq 0 iso 0 dist 5.16581 7.57749 4.68866 8.71617 11.657 9.9335 numMergedOcc 0
35 mol 257 unq 1 iso 0 dist 5.13633 7.57749 5.66175 8.71617 7.41143 9.9335 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 8.82941 8.6959 10.504 7.51951 13.1885 12.9145 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 6.86014 8.20902 3.97543 7.34927 7.75371 10.5214 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 6.02089 8.51266 6.73772 7.61675 6.44735 12.6536 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 6.87804 8.51266 15.2885 7.61675 9.12345 12.6536 numMergedOcc 0
