0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 8.95357 8.20058 8.45916 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.88695 9.63803 8.25132 13.9089 15.3546 9.56639 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.96265 7.61923 6.16718 11.0602 9.74935 5.87258 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 9.70459 5.11941 6.16718 6.3575 9.74935 5.87258 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 7.78905 5.84744 6.16718 5.73343 9.74935 5.87258 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 5.16581 10.9983 5.62688 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 15.1383 16.4532 9.78762 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.9747 7.34638 7.03983 11.1108 8.05602 4.79891 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.50572 6.0995 7.03983 9.17639 8.05602 4.79891 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.3164 8.30089 6.35679 7.12319 8.84523 7.22752 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.91337 5.90003 6.30721 7.49885 12.7943 6.88175 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 6.40546 5.90003 10.5082 7.49885 13.2957 6.88175 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.56696 6.23966 8.46972 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 5.76927 9.77934 9.58844 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 11.1511 13.3396 8.14405 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.07091 6.51523 7.5383 12.1824 14.7738 8.09699 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.96988 9.18289 13.0315 13.4102 16.2066 8.41456 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.10287 8.69512 6.37317 7.43264 10.8041 7.84418 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.10287 8.69512 6.37317 12.1402 11.5674 6.92823 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 5.4913 8.69512 12.8695 7.43264 12.0942 7.84418 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 5.4913 8.69512 12.8695 12.1402 16.6431 6.92823 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 5.87223 5.03184 3.9436 9.60101 10.0663 8.43638 numMergedOcc 0
22 mol 212 unq 1 iso 0 dist 5.87223 5.03184 3.9436 9.48834 10.8077 7.06117 numMergedOcc 0
23 mol 219 unq 0 iso 0 dist 4.87446 9.74779 8.8527 6.28221 6.8424 8.72479 numMergedOcc 0
24 mol 219 unq 1 iso 0 dist 7.49235 9.74779 11.4193 6.28221 12.5982 8.72479 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 6.45821 11.7367 7.61739 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 4.61429 9.73411 5.31916 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 8.46129 6.32334 5.76843 4.61429 10.1632 5.31916 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 9.2053 6.32334 4.54188 4.61429 7.75485 5.31916 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.66555 6.96382 6.82305 5.12308 4.87108 5.41453 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 12.746 20.1985 9.40401 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 9.71801 7.15079 11.4471 10.9845 15.5036 5.64169 numMergedOcc 0
