0 mol 24 unq 0 iso 0 dist 8.48944 9.04448 11.9756 10.7171 6.36381 16.6394 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.48944 6.6834 13.4516 10.7171 6.36381 13.8227 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.3224 8.71602 7.62116 6.21952 5.14358 10.8047 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 8.3224 7.54379 8.79591 6.21952 5.14358 10.5434 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 7.54379 8.3224 8.79591 5.06613 7.51725 9.83737 numMergedOcc 0
5 mol 30 unq 3 iso 0 dist 7.54379 8.71602 5.02289 5.06613 7.51725 11.0088 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 5.96246 7.84956 7.51315 4.84407 9.70292 11.5834 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 5.96246 8.57607 11.734 4.84407 9.70292 12.0576 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 5.96246 6.1991 6.95874 4.84407 9.70292 10.4457 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.91797 6.37954 6.70343 6.80592 5.33961 10.5543 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.91797 6.37954 6.70343 13.4907 9.29816 12.9554 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 5.91797 6.37954 6.70343 9.55396 5.08983 9.58039 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 6.37954 5.91797 6.70343 10.4899 8.3505 14.2657 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.14652 7.76446 5.83782 13.5949 8.78303 10.6236 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.09403 8.33147 5.33725 3.76321 8.27396 10.1839 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 8.01604 9.07006 3.68927 4.37168 7.6482 9.30803 numMergedOcc 0
16 mol 188 unq 1 iso 0 dist 7.03264 6.32826 3.68927 5.23978 7.6482 9.30803 numMergedOcc 0
17 mol 188 unq 2 iso 0 dist 9.07006 8.01604 3.68927 4.37168 9.30803 7.6482 numMergedOcc 0
18 mol 188 unq 3 iso 0 dist 6.32826 7.03264 3.68927 5.23978 9.30803 7.6482 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 6.0751 9.00218 5.11832 3.73772 5.76164 10.1271 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.61255 7.64703 13.5848 10.0125 7.15079 9.39896 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 7.64703 9.61255 13.5848 6.59723 4.97796 8.97249 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 9.88198 9.88022 19.0111 13.9436 7.59142 23.7175 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 9.88198 7.26637 13.095 13.9436 7.59142 14.5051 numMergedOcc 0
