0 mol 2 unq 0 iso 0 dist 8.66033 14.6076 6.52386 5.31104 9.74371 14.1164 5.62761 6.35342 12.506 9.97525 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.54324 9.8254 6.52386 9.97841 9.74371 14.1164 11.9523 6.35342 12.506 9.97525 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.71959 9.2768 8.57437 5.46848 9.67498 10.0257 14.1165 9.85726 17.7278 15.0231 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.71959 9.2768 8.57437 16.368 9.32945 9.33944 14.1165 9.85726 17.7278 17.302 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 6.69294 13.7871 9.42142 10.2428 7.66311 5.06934 9.88721 8.39221 5.63648 4.15151 numMergedOcc 0
5 mol 14 unq 1 iso 0 dist 5.35021 11.3079 9.42142 9.04499 7.66311 5.06934 11.7436 8.39221 5.63648 4.15151 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.91858 16.776 9.10386 12.7633 9.27355 7.53682 5.58228 9.68526 15.7901 10.8067 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.91858 16.776 9.10386 12.7633 9.27355 7.53682 16.0863 7.26679 4.69583 10.5627 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.91858 16.776 9.10386 12.7633 9.27355 7.53682 13.5581 9.30776 15.8603 17.4113 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 8.07051 11.6306 8.52125 9.41878 7.11187 5.60763 6.27843 6.78459 5.89399 6.67262 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 8.07051 11.6306 8.52125 6.19687 6.60356 13.5152 6.27843 6.78459 5.89399 9.96864 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.92525 12.8431 7.66832 8.1956 8.59182 9.79203 8.47277 8.21889 9.47324 12.4009 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 9.92525 12.8431 7.66832 8.1956 8.59182 9.79203 12.9188 9.74643 4.93112 12.8701 numMergedOcc 0
13 mol 109 unq 2 iso 0 dist 9.92525 12.8431 7.66832 8.1956 8.59182 9.79203 8.85075 6.86702 4.48038 5.95831 numMergedOcc 0
14 mol 109 unq 3 iso 0 dist 9.92525 11.975 8.11083 8.1956 8.59182 5.26073 8.47277 8.21889 12.7688 12.4009 numMergedOcc 0
15 mol 109 unq 4 iso 0 dist 9.92525 11.975 8.11083 8.1956 8.59182 5.26073 12.9188 9.74643 10.5733 12.8701 numMergedOcc 0
16 mol 109 unq 5 iso 0 dist 9.92525 11.975 8.11083 8.1956 8.59182 5.26073 8.85075 6.86702 4.76017 5.95831 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 4.84604 9.45934 6.85651 6.92975 9.07294 8.75242 12.9151 8.84018 4.84607 13.1243 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 4.84604 9.45934 6.85651 6.53637 7.50126 14.0828 12.9151 8.84018 4.84607 15.9524 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 4.84604 5.10912 7.03858 6.92975 9.07294 6.45333 12.9151 8.84018 11.981 13.1243 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 4.84604 5.10912 7.03858 6.53637 7.50126 11.5586 12.9151 8.84018 11.981 15.9524 numMergedOcc 0
21 mol 211 unq 0 iso 0 dist 8.47937 8.40497 7.38723 5.28889 9.8921 12.6613 7.83036 8.63308 3.99353 11.3877 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 9.29519 6.08918 8.10096 5.84124 7.20862 6.92911 6.86095 9.5723 5.47434 10.5706 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 8.99792 5.69491 8.15897 7.14491 9.174 6.70277 4.99503 9.72526 9.87799 7.93809 numMergedOcc 0
