0 mol 1 unq 0 iso 0 dist 7.68779 6.24156 12.7243 5.96722 6.4181 11.7154 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.68779 9.92098 7.4966 5.96722 6.4181 12.3079 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 9.41745 8.79013 8.10227 4.13477 7.8865 9.79847 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.61029 7.54282 7.11305 7.53125 9.7522 9.90986 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.16036 6.86391 6.16718 11.0716 9.96265 7.61923 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 7.16036 6.86391 6.16718 7.93542 9.70459 5.11941 numMergedOcc 0
6 mol 44 unq 2 iso 0 dist 7.16036 6.86391 6.16718 4.61354 7.78905 5.84744 numMergedOcc 0
7 mol 44 unq 3 iso 0 dist 7.16036 6.86391 6.16718 6.03595 9.44909 11.0139 numMergedOcc 0
8 mol 46 unq 0 iso 0 dist 8.2513 9.72136 14.5035 10.0786 9.77553 15.1676 numMergedOcc 0
9 mol 46 unq 1 iso 0 dist 8.2513 4.61355 12.3186 10.0786 9.77553 14.3019 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 8.97292 8.58849 11.3575 6.00486 6.65344 10.2008 numMergedOcc 0
11 mol 59 unq 1 iso 0 dist 8.97292 5.73075 13.6023 6.00486 6.65344 10.5892 numMergedOcc 0
12 mol 59 unq 2 iso 0 dist 6.85083 8.58849 6.64449 8.5275 7.7978 13.943 numMergedOcc 0
13 mol 59 unq 3 iso 0 dist 6.85083 8.58849 6.64449 10.3175 9.55751 15.6499 numMergedOcc 0
14 mol 59 unq 4 iso 0 dist 6.85083 5.73075 7.31539 8.5275 7.7978 11.5355 numMergedOcc 0
15 mol 59 unq 5 iso 0 dist 6.85083 5.73075 7.31539 10.3175 9.55751 11.9689 numMergedOcc 0
16 mol 78 unq 0 iso 0 dist 5.02591 8.06358 6.9648 5.13304 9.23023 10.5822 numMergedOcc 0
17 mol 86 unq 0 iso 0 dist 5.49793 7.19148 5.9022 9.86291 8.88225 14.521 numMergedOcc 0
18 mol 86 unq 1 iso 0 dist 5.49793 7.19148 5.9022 9.22136 9.49308 14.1958 numMergedOcc 0
19 mol 110 unq 0 iso 0 dist 6.59361 8.27843 8.4494 4.88877 9.73174 11.7099 numMergedOcc 0
20 mol 110 unq 1 iso 0 dist 6.59361 8.27843 8.4494 7.46387 9.65418 14.3277 numMergedOcc 0
21 mol 122 unq 0 iso 0 dist 5.09114 7.34585 6.9791 12.0108 9.40018 10.7555 numMergedOcc 0
22 mol 122 unq 1 iso 0 dist 5.09114 7.34585 6.9791 9.14438 6.78949 13.1579 numMergedOcc 0
23 mol 123 unq 0 iso 0 dist 8.87148 8.18122 4.1335 4.81545 8.67193 10.119 numMergedOcc 0
24 mol 123 unq 1 iso 0 dist 9.26057 6.70684 4.1335 9.59867 8.67193 10.119 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 7.78695 9.36133 4.48323 6.08143 7.97007 10.0117 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 5.52981 5.92364 6.04002 7.26513 8.5119 10.1404 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.49599 7.8428 9.99423 11.5386 8.06771 17.058 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.47382 7.8428 8.81358 12.8939 9.54857 14.0587 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.8133 6.98961 5.50627 9.02523 9.6898 12.5194 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 6.8133 6.98961 5.50627 9.57206 5.75596 9.7061 numMergedOcc 0
