0 mol 11 unq 0 iso 0 dist 6.49709 5.59847 4.10106 7.4835 5.95165 6.50001 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 4.93826 8.40051 5.77745 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 3.68549 8.3224 6.54878 6.21952 6.88974 5.14358 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 3.68549 8.3224 6.54878 5.06613 5.5814 9.83737 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 3.68549 8.71602 5.62773 6.21952 6.88974 10.8047 numMergedOcc 0
5 mol 30 unq 3 iso 0 dist 3.68549 8.71602 5.62773 5.06613 5.5814 11.0088 numMergedOcc 0
6 mol 30 unq 4 iso 0 dist 3.68549 7.54379 4.20285 6.21952 6.88974 10.5434 numMergedOcc 0
7 mol 30 unq 5 iso 0 dist 3.68549 7.54379 4.20285 5.06613 5.5814 7.51725 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 6.41579 8.38387 12.266 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.49531 7.84956 10.2496 4.84407 8.69069 11.5834 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 8.49531 8.57607 16.6518 4.84407 8.69069 12.0576 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 8.49531 6.1991 13.1525 4.84407 8.69069 10.4457 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 8.49531 5.96246 7.26851 4.84407 8.69069 9.70292 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 9.26438 6.62354 5.00433 9.97562 8.3164 9.94704 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 6.43255 8.00085 5.00433 13.5611 8.3164 9.94704 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 5.08302 9.40018 10.7555 numMergedOcc 0
16 mol 122 unq 1 iso 0 dist 8.47907 6.91978 6.9791 11.2519 6.78949 13.1579 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 6.11789 8.07256 12.0918 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 8.34839 9.83462 4.84714 6.11789 8.07256 11.756 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 6.44195 8.59532 4.55687 5.32921 9.93555 10.4975 numMergedOcc 0
20 mol 154 unq 1 iso 0 dist 7.34207 8.59532 13.5599 9.95968 6.23399 17.5316 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.52413 8.9388 15.4336 16.5529 8.03995 19.9988 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 6.0639 9.16579 7.38602 4.40927 7.80299 12.9418 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 6.0639 8.95209 11.6282 4.40927 7.80299 12.9953 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 4.78641 6.27266 5.41635 8.94388 7.63036 10.6446 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 5.82039 9.36144 7.89575 8.60571 9.78438 8.79378 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 8.95071 5.9625 10.5937 9.48296 5.66569 13.0312 numMergedOcc 0
27 mol 236 unq 1 iso 0 dist 8.95071 5.9625 10.5937 5.05085 6.11137 9.94117 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 7.151 9.22453 11.2997 12.4082 9.77689 20.2068 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 7.151 9.22453 11.2997 7.47195 8.51931 10.3461 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 8.53324 9.22453 4.40029 7.47195 8.96343 10.3461 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 7.23956 9.22453 3.97543 12.7088 9.29635 11.7453 numMergedOcc 0
