0 mol 2 unq 0 iso 0 dist 9.40823 5.31104 9.08872 5.62761 9.58976 9.97525 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.40823 5.31104 9.08872 8.30353 9.57645 3.9935 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 9.40823 10.2334 7.37296 5.62761 9.58976 11.2776 numMergedOcc 0
3 mol 2 unq 3 iso 0 dist 9.40823 10.2334 7.37296 8.30353 9.57645 11.0228 numMergedOcc 0
4 mol 2 unq 4 iso 0 dist 8.66033 5.31104 9.74371 5.62761 6.35342 9.97525 numMergedOcc 0
5 mol 2 unq 5 iso 0 dist 8.5163 7.7038 9.08872 8.99715 9.58976 9.97525 numMergedOcc 0
6 mol 2 unq 6 iso 0 dist 8.5163 7.7038 9.08872 7.90831 9.57645 3.9935 numMergedOcc 0
7 mol 2 unq 7 iso 0 dist 8.5163 5.40651 7.37296 8.99715 9.58976 11.2776 numMergedOcc 0
8 mol 2 unq 8 iso 0 dist 8.5163 5.40651 7.37296 7.90831 9.57645 11.0228 numMergedOcc 0
9 mol 2 unq 9 iso 0 dist 9.54324 9.97841 9.74371 11.9523 6.35342 9.97525 numMergedOcc 0
10 mol 7 unq 0 iso 0 dist 9.71959 5.46848 9.67498 14.1165 9.85726 15.0231 numMergedOcc 0
11 mol 7 unq 1 iso 0 dist 9.71959 16.368 9.32945 14.1165 9.85726 17.302 numMergedOcc 0
12 mol 14 unq 0 iso 0 dist 6.69294 10.2428 7.66311 9.88721 8.39221 4.15151 numMergedOcc 0
13 mol 14 unq 1 iso 0 dist 5.35021 9.04499 7.66311 11.7436 8.39221 4.15151 numMergedOcc 0
14 mol 55 unq 0 iso 0 dist 7.62977 11.7434 7.58788 5.99412 9.70148 11.7622 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 8.91858 12.7633 9.27355 5.58228 9.68526 10.8067 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.91858 12.7633 9.27355 16.0863 7.26679 10.5627 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 8.91858 12.7633 9.27355 13.5581 9.30776 17.4113 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 7.5442 12.7633 8.60363 5.58228 9.72442 10.8067 numMergedOcc 0
19 mol 73 unq 4 iso 0 dist 7.5442 12.7633 8.60363 14.2704 9.02288 16.3515 numMergedOcc 0
20 mol 73 unq 5 iso 0 dist 7.5442 5.19187 9.27331 5.58228 9.72442 10.163 numMergedOcc 0
21 mol 73 unq 6 iso 0 dist 7.5442 5.19187 9.27331 14.2704 9.02288 12.3394 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 8.07051 9.41878 7.11187 6.27843 6.78459 6.67262 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 8.07051 6.19687 6.60356 6.27843 6.78459 9.96864 numMergedOcc 0
24 mol 104 unq 0 iso 0 dist 7.43351 6.48717 5.90762 9.70098 9.22466 7.86595 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 9.92525 8.1956 8.59182 8.47277 8.21889 12.4009 numMergedOcc 0
26 mol 109 unq 1 iso 0 dist 9.92525 8.1956 8.59182 12.9188 9.74643 12.8701 numMergedOcc 0
27 mol 109 unq 2 iso 0 dist 9.92525 8.1956 8.59182 8.85075 6.86702 5.95831 numMergedOcc 0
28 mol 132 unq 0 iso 0 dist 9.7097 6.40933 8.15549 9.38119 7.70349 10.469 numMergedOcc 0
29 mol 133 unq 0 iso 0 dist 4.84604 6.92975 9.07294 12.9151 8.84018 13.1243 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 4.84604 6.53637 7.50126 12.9151 8.84018 15.9524 numMergedOcc 0
31 mol 182 unq 0 iso 0 dist 5.16184 9.88308 8.94671 7.48422 7.86625 4.85077 numMergedOcc 0
32 mol 182 unq 1 iso 0 dist 8.54162 9.61093 8.94671 6.98787 7.86625 4.85077 numMergedOcc 0
33 mol 199 unq 0 iso 0 dist 7.91016 14.6089 9.88917 5.1587 8.68505 11.2655 numMergedOcc 0
34 mol 199 unq 1 iso 0 dist 7.21813 11.6262 9.88917 4.40457 8.68505 11.2655 numMergedOcc 0
35 mol 199 unq 2 iso 0 dist 9.74632 11.6262 9.56785 10.7915 9.60407 5.60906 numMergedOcc 0
36 mol 210 unq 0 iso 0 dist 8.87835 7.45619 6.24111 9.55205 9.67457 13.3929 numMergedOcc 0
37 mol 210 unq 1 iso 0 dist 8.87835 4.70332 9.00343 9.55205 9.67457 12.3088 numMergedOcc 0
38 mol 210 unq 2 iso 0 dist 8.87835 8.57997 6.41444 9.55205 9.67457 13.3774 numMergedOcc 0
39 mol 210 unq 3 iso 0 dist 9.54076 9.42733 6.24111 18.346 9.67457 13.3929 numMergedOcc 0
40 mol 210 unq 4 iso 0 dist 9.54076 13.6553 9.00343 18.346 9.67457 12.3088 numMergedOcc 0
41 mol 210 unq 5 iso 0 dist 9.54076 5.87078 6.41444 18.346 9.67457 13.3774 numMergedOcc 0
42 mol 211 unq 0 iso 0 dist 8.47937 5.28889 9.8921 7.83036 8.63308 11.3877 numMergedOcc 0
43 mol 224 unq 0 iso 0 dist 7.73616 6.0185 5.97988 5.41675 6.08709 6.70321 numMergedOcc 0
44 mol 224 unq 1 iso 0 dist 7.73616 9.41461 9.08719 5.41675 6.08709 4.55824 numMergedOcc 0
45 mol 226 unq 0 iso 0 dist 9.29519 5.84124 7.20862 6.86095 9.5723 10.5706 numMergedOcc 0
46 mol 231 unq 0 iso 0 dist 9.16488 6.17101 7.28719 11.3675 7.79865 10.9863 numMergedOcc 0
47 mol 231 unq 1 iso 0 dist 9.16488 6.17101 7.28719 12.5238 6.14348 10.2117 numMergedOcc 0
48 mol 231 unq 2 iso 0 dist 9.16488 9.12985 6.60684 11.3675 7.79865 8.54452 numMergedOcc 0
49 mol 231 unq 3 iso 0 dist 9.16488 9.12985 6.60684 12.5238 6.14348 6.95128 numMergedOcc 0
50 mol 241 unq 0 iso 0 dist 8.99792 7.14491 9.174 4.99503 9.72526 7.93809 numMergedOcc 0
51 mol 249 unq 0 iso 0 dist 8.09174 11.359 6.18866 7.61942 5.78121 6.28944 numMergedOcc 0
52 mol 249 unq 1 iso 0 dist 8.09174 11.359 6.18866 5.09262 7.29898 12.5843 numMergedOcc 0
53 mol 249 unq 2 iso 0 dist 9.08729 11.359 9.3807 5.09262 8.91685 12.5843 numMergedOcc 0
54 mol 282 unq 0 iso 0 dist 9.40138 5.64349 7.93511 8.93697 5.67266 9.67023 numMergedOcc 0
