0 mol 7 unq 0 iso 0 dist 6.36911 9.87885 7.92429 5.03847 9.97624 11.2901 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.36807 6.1206 7.92429 13.8829 9.97624 11.2901 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 7.67927 11.2233 13.8829 9.97624 16.0449 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.47421 8.55451 5.66192 9.5997 9.57198 14.126 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.47421 5.8245 3.91075 9.5997 9.57198 10.9352 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 6.08338 5.93898 4.28381 10.6971 6.93185 6.28263 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 7.33969 8.70192 6.58458 7.401 6.24515 11.3405 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 7.45237 8.70192 10.5834 7.401 6.47855 11.3405 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 6.99408 5.94756 4.51883 8.26635 7.21995 10.1089 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 6.99408 5.94756 4.51883 13.4503 9.62637 13.3858 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 7.12541 8.71468 10.4354 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 8.89374 8.96727 14.6599 5.49591 9.11258 9.01564 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 8.89374 8.01308 9.47022 5.49591 9.11258 7.11065 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 8.68586 9.86334 8.84224 6.21578 9.32552 12.5444 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 5.11416 7.10439 6.14542 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 4.65521 8.68662 6.10063 6.56633 7.10439 8.96616 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 4.65521 7.4369 6.15714 6.56633 7.10439 6.14542 numMergedOcc 0
17 mol 74 unq 0 iso 0 dist 8.96501 7.93281 5.38404 8.1988 8.48471 11.9224 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 6.21982 6.72869 4.00608 4.85247 7.03226 7.46095 numMergedOcc 0
19 mol 76 unq 1 iso 0 dist 8.19682 9.85905 4.00608 6.45686 7.03226 7.46095 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 5.81965 8.3773 7.94489 8.55834 7.1539 13.673 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 5.81965 8.3773 7.94489 9.50382 5.39745 9.92987 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 8.72704 7.82475 12.5061 10.6245 6.0652 14.2784 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 8.72704 5.35782 12.1093 10.6245 6.0652 13.2583 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 13.7032 9.83981 13.8288 numMergedOcc 0
25 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 14.0688 7.70313 11.7584 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 7.64585 6.39384 5.65471 6.40494 7.52142 10.2171 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 8.79571 7.21868 5.67107 4.57832 8.73604 9.0176 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 5.42582 9.33924 6.0991 5.29786 8.73604 12.2587 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 5.42582 7.93372 5.67107 5.29786 8.73604 9.0176 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 8.94837 9.00918 5.58312 14.2198 6.93279 7.83568 numMergedOcc 0
31 mol 134 unq 4 iso 0 dist 8.94837 7.99477 9.61537 14.2198 6.93279 12.0743 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 7.42649 5.26989 5.29898 numMergedOcc 0
33 mol 141 unq 1 iso 0 dist 6.93652 8.07097 4.22522 10.6531 7.76442 10.5285 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 6.89781 9.0529 9.24038 numMergedOcc 0
35 mol 155 unq 1 iso 0 dist 7.51198 8.97626 4.48516 5.50031 9.80845 9.16358 numMergedOcc 0
36 mol 155 unq 2 iso 0 dist 7.51198 8.97626 4.48516 6.89781 7.55196 9.24038 numMergedOcc 0
37 mol 175 unq 0 iso 0 dist 9.52634 9.63417 4.14392 6.77832 8.99988 10.5288 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 5.63555 5.97685 8.12266 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 5.63555 5.97685 10.5303 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 7.98142 9.55105 10.2172 5.63555 5.97685 9.43306 numMergedOcc 0
41 mol 181 unq 3 iso 0 dist 7.37327 6.64173 4.88823 5.63555 8.9289 8.12266 numMergedOcc 0
42 mol 181 unq 4 iso 0 dist 7.37327 9.01624 14.8923 5.63555 8.9289 10.5303 numMergedOcc 0
43 mol 181 unq 5 iso 0 dist 7.37327 9.55105 14.2334 5.63555 8.9289 9.43306 numMergedOcc 0
44 mol 188 unq 0 iso 0 dist 6.90541 7.88013 6.39872 10.5721 9.33696 11.506 numMergedOcc 0
45 mol 188 unq 1 iso 0 dist 6.90541 9.90062 8.81694 10.5721 9.33696 15.176 numMergedOcc 0
46 mol 192 unq 0 iso 0 dist 8.36822 9.78634 10.3099 8.49529 7.33225 15.7529 numMergedOcc 0
47 mol 192 unq 1 iso 0 dist 8.36822 5.64942 10.1087 8.49529 7.33225 13.3256 numMergedOcc 0
48 mol 192 unq 2 iso 0 dist 8.36822 7.43054 10.0566 8.49529 7.33225 13.7172 numMergedOcc 0
49 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 8.32583 9.47117 10.7064 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 8.17891 5.23634 4.09934 10.9607 7.57454 8.91971 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 6.95902 6.91318 4.09934 9.72615 7.57454 8.91971 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 10.0059 7.43663 7.77911 numMergedOcc 0
53 mol 234 unq 1 iso 0 dist 9.39181 5.64285 6.45373 5.08515 7.94068 7.77911 numMergedOcc 0
54 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 12.6661 7.22019 12.6164 numMergedOcc 0
55 mol 235 unq 0 iso 0 dist 6.98084 8.19317 4.47008 6.82855 7.31773 8.97952 numMergedOcc 0
56 mol 235 unq 1 iso 0 dist 6.98084 6.29377 7.34601 6.82855 7.31773 10.1845 numMergedOcc 0
57 mol 235 unq 2 iso 0 dist 7.32211 5.1823 4.47008 6.46722 7.31773 8.97952 numMergedOcc 0
58 mol 235 unq 3 iso 0 dist 7.32211 5.70635 7.34601 6.46722 7.31773 10.1845 numMergedOcc 0
59 mol 241 unq 0 iso 0 dist 6.83797 7.95042 12.0248 4.90279 8.00537 10.8022 numMergedOcc 0
60 mol 257 unq 0 iso 0 dist 7.27505 7.81897 7.89807 6.74593 8.60481 10.3681 numMergedOcc 0
61 mol 259 unq 0 iso 0 dist 7.48005 9.63573 9.98303 8.81835 8.71497 11.547 numMergedOcc 0
62 mol 259 unq 1 iso 0 dist 7.48005 7.66153 14.0829 8.81835 8.71497 14.6679 numMergedOcc 0
63 mol 284 unq 0 iso 0 dist 4.86729 5.83329 7.67245 4.50325 6.61376 10.2645 numMergedOcc 0
