0 mol 59 unq 0 iso 0 dist 8.17564 13.5189 5.45575 5.87788 9.43355 13.4649 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 8.17564 13.5189 5.45575 15.4376 7.9327 5.15625 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 7.19213 12.1252 5.45575 5.46359 9.43355 13.4649 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 7.19213 12.1252 5.45575 13.0982 7.9327 5.15625 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 6.94351 5.30815 5.45575 16.3671 9.43355 13.4649 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 6.94351 5.30815 5.45575 5.83238 7.9327 5.15625 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 5.70192 8.1507 9.46792 4.31746 9.0008 11.2556 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 7.65646 4.18156 9.46792 7.58981 9.0008 11.2556 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 8.07915 9.67218 9.66935 5.03347 8.28564 9.09491 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 7.97801 9.38956 8.9891 4.80033 8.39475 8.07212 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 8.91189 12.3362 9.66843 6.69743 5.9032 9.15107 numMergedOcc 0
11 mol 159 unq 1 iso 0 dist 8.94941 14.6041 9.53056 4.49716 6.72852 11.6094 numMergedOcc 0
12 mol 159 unq 2 iso 0 dist 8.94941 14.6041 9.53056 6.69743 8.52082 17.3643 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 9.56248 18.7282 9.25763 7.6477 8.41245 15.3501 numMergedOcc 0
14 mol 173 unq 1 iso 0 dist 9.56248 18.7282 9.25763 5.04427 6.64779 15.5823 numMergedOcc 0
15 mol 173 unq 2 iso 0 dist 9.56248 18.8784 9.63102 7.6477 8.41245 15.9805 numMergedOcc 0
16 mol 173 unq 3 iso 0 dist 9.56248 18.8784 9.63102 5.04427 6.64779 14.7982 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 9.61294 11.6259 9.00007 6.36084 7.17337 5.39184 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 9.74324 16.8959 7.29546 10.1825 6.54825 11.1737 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.24435 4.50991 8.61709 5.18265 8.09718 9.54895 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 6.24435 4.50991 8.61709 4.30687 6.73446 6.1864 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 5.18952 5.22335 7.40408 10.2859 8.08764 11.6003 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 5.18952 7.60699 6.77395 10.2859 8.08764 7.64962 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 8.44015 10.9211 9.67417 5.29885 5.91213 6.28052 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 9.79283 12.565 6.06557 13.9497 8.85779 6.30473 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 8.96092 4.54209 6.73204 4.60075 6.43034 5.10104 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 9.20119 8.64534 5.2527 9.11162 6.8972 8.03458 numMergedOcc 0
27 mol 282 unq 1 iso 0 dist 8.96997 4.30142 5.2527 10.842 6.8972 8.03458 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 7.12793 8.04862 7.82457 4.57255 8.87606 10.9273 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 6.21208 11.4159 7.82457 4.44552 8.87606 10.9273 numMergedOcc 0
