0 mol 11 unq 0 iso 0 dist 8.73067 7.5901 7.98326 9.58844 6.859 9.74251 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.73067 12.5553 7.46578 9.58844 6.859 6.56765 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 6.96422 5.4274 5.76024 8.15488 9.90835 5.21529 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 6.96422 8.06296 7.92714 8.15488 9.90835 9.7731 numMergedOcc 0
4 mol 12 unq 2 iso 0 dist 6.96422 6.65972 8.47217 8.15488 9.90835 5.41989 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 7.02548 5.90856 9.95212 4.01494 8.54034 9.79414 numMergedOcc 0
6 mol 21 unq 0 iso 0 dist 6.93185 8.23299 8.60289 4.20216 5.63735 6.29572 numMergedOcc 0
7 mol 21 unq 1 iso 0 dist 6.93185 8.23299 8.60289 4.28381 6.28263 5.55622 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.22361 7.52321 7.35861 4.15342 9.36924 6.88067 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 6.15893 7.26595 7.35861 12.8622 9.36924 6.88067 numMergedOcc 0
10 mol 26 unq 2 iso 0 dist 5.497 11.553 6.56527 5.11733 6.7142 10.0347 numMergedOcc 0
11 mol 26 unq 3 iso 0 dist 7.3022 6.78223 6.93197 10.267 6.07276 10.1622 numMergedOcc 0
12 mol 46 unq 0 iso 0 dist 6.61977 5.99025 8.0543 7.09057 5.96231 10.324 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 7.10439 9.79695 8.87464 6.10063 8.96616 5.29727 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 7.10439 9.79695 8.87464 6.15714 6.14542 3.85385 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 7.03226 9.24521 8.95905 4.00608 7.46095 6.6642 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 9.63599 6.49291 9.78384 4.1859 9.77084 3.99035 numMergedOcc 0
17 mol 79 unq 1 iso 0 dist 9.63599 6.49291 9.78384 8.68431 6.5551 4.53016 numMergedOcc 0
18 mol 79 unq 2 iso 0 dist 9.63599 11.51 8.87742 4.1859 9.77084 12.2375 numMergedOcc 0
19 mol 79 unq 3 iso 0 dist 9.63599 11.51 8.87742 8.68431 6.5551 13.1414 numMergedOcc 0
20 mol 79 unq 4 iso 0 dist 9.63599 7.82761 4.93468 4.1859 9.77084 6.69352 numMergedOcc 0
21 mol 79 unq 5 iso 0 dist 9.63599 7.82761 4.93468 8.68431 6.5551 6.0749 numMergedOcc 0
22 mol 79 unq 6 iso 0 dist 7.87237 5.97134 9.26979 5.72646 9.09458 3.81317 numMergedOcc 0
23 mol 79 unq 7 iso 0 dist 7.87237 9.00783 9.05679 5.72646 9.09458 4.08868 numMergedOcc 0
24 mol 79 unq 8 iso 0 dist 7.87237 4.52595 4.93468 5.72646 9.09458 6.06691 numMergedOcc 0
25 mol 79 unq 9 iso 0 dist 8.01743 6.4154 9.78384 5.95598 9.77084 3.99035 numMergedOcc 0
26 mol 79 unq 10 iso 0 dist 8.01743 6.4154 9.78384 4.47084 6.5551 4.53016 numMergedOcc 0
27 mol 79 unq 11 iso 0 dist 8.01743 11.4135 8.87742 5.95598 9.77084 12.2375 numMergedOcc 0
28 mol 79 unq 12 iso 0 dist 8.01743 11.4135 8.87742 4.47084 6.5551 13.1414 numMergedOcc 0
29 mol 79 unq 13 iso 0 dist 8.01743 4.58851 4.93468 5.95598 9.77084 6.69352 numMergedOcc 0
30 mol 79 unq 14 iso 0 dist 8.01743 4.58851 4.93468 4.47084 6.5551 6.0749 numMergedOcc 0
31 mol 85 unq 0 iso 0 dist 6.05495 13.3263 9.66222 7.2898 5.05893 11.0952 numMergedOcc 0
32 mol 85 unq 1 iso 0 dist 6.05495 13.3263 9.66222 4.13305 5.71866 12.5181 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.55616 10.6595 6.40575 9.48887 9.0176 15.0575 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 8.73604 14.1488 6.40575 5.67107 9.0176 15.0575 numMergedOcc 0
35 mol 141 unq 0 iso 0 dist 4.25566 7.64948 9.83945 10.9801 7.42144 16.2294 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 4.25566 7.64948 9.83945 10.0279 6.27658 15.9806 numMergedOcc 0
37 mol 141 unq 2 iso 0 dist 6.63171 14.2837 9.83945 6.88786 7.42144 16.2294 numMergedOcc 0
38 mol 141 unq 3 iso 0 dist 6.63171 14.2837 9.83945 6.8633 6.27658 15.9806 numMergedOcc 0
39 mol 141 unq 4 iso 0 dist 7.67273 10.6379 9.83945 9.63622 7.42144 16.2294 numMergedOcc 0
40 mol 141 unq 5 iso 0 dist 7.67273 10.6379 9.83945 10.8428 6.27658 15.9806 numMergedOcc 0
41 mol 141 unq 6 iso 0 dist 7.31037 7.64948 6.75376 6.17069 9.27009 6.93828 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 6.32777 7.23063 8.86197 5.82396 9.88897 5.3698 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 6.32777 5.42554 5.94379 5.82396 9.88897 9.56782 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 5.97685 11.2039 7.22883 4.48306 8.12266 14.2282 numMergedOcc 0
45 mol 181 unq 3 iso 0 dist 5.97685 11.2039 7.22883 10.2172 9.43306 10.273 numMergedOcc 0
46 mol 181 unq 4 iso 0 dist 5.97685 11.2039 7.22883 10.9122 8.59681 5.14966 numMergedOcc 0
47 mol 181 unq 5 iso 0 dist 8.9289 15.9559 7.22883 4.88823 8.12266 14.2282 numMergedOcc 0
48 mol 181 unq 6 iso 0 dist 8.9289 15.9559 7.22883 14.2334 9.43306 10.273 numMergedOcc 0
49 mol 181 unq 7 iso 0 dist 8.9289 15.9559 7.22883 16.1796 8.59681 5.14966 numMergedOcc 0
50 mol 181 unq 8 iso 0 dist 7.05653 9.67649 9.92471 5.82984 8.06308 5.42414 numMergedOcc 0
51 mol 194 unq 0 iso 0 dist 9.3402 5.63279 6.38324 6.72001 9.00322 7.41775 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 7.17337 5.12599 9.78181 14.5281 9.9183 14.876 numMergedOcc 0
53 mol 232 unq 1 iso 0 dist 7.17337 16.1253 9.8664 14.5281 9.9183 11.2243 numMergedOcc 0
54 mol 273 unq 0 iso 0 dist 8.68913 13.9948 7.16346 8.0478 7.85836 8.43367 numMergedOcc 0
55 mol 273 unq 1 iso 0 dist 8.68913 13.9948 7.16346 10.9311 6.35532 3.78984 numMergedOcc 0
