0 mol 53 unq 0 iso 0 dist 5.38734 9.61666 5.40748 5.57443 7.28228 8.17272 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.06915 6.68667 6.63973 8.94548 8.23026 9.42791 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.30892 15.8652 9.43496 8.55171 7.06939 9.56471 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 5.85831 6.68148 9.43496 6.01412 7.06939 9.56471 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 9.94147 11.4061 5.33961 18.2172 9.64383 11.1668 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 9.94147 11.4061 5.33961 11.625 7.54889 12.7318 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 9.94147 11.4061 5.33961 7.64265 7.78931 12.3835 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 9.94147 18.7982 9.29816 18.2172 9.64383 5.70962 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 9.94147 18.7982 9.29816 11.625 7.54889 14.676 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 9.94147 18.7982 9.29816 7.64265 7.78931 16.3389 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 9.94147 8.83961 5.08983 18.2172 9.64383 10.1978 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 9.94147 8.83961 5.08983 11.625 7.54889 7.1452 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 9.94147 8.83961 5.08983 7.64265 7.78931 4.96747 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 8.0775 11.2583 7.34638 9.65197 7.02507 10.4417 numMergedOcc 0
14 mol 98 unq 10 iso 0 dist 8.0775 12.8005 6.0995 9.65197 7.02507 9.63267 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 7.47769 15.8892 9.46621 14.0652 9.89083 10.404 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 7.47769 15.8892 9.46621 9.80725 8.52024 10.6893 numMergedOcc 0
17 mol 109 unq 2 iso 0 dist 7.47769 14.1026 9.94704 14.0652 9.89083 14.8479 numMergedOcc 0
18 mol 109 unq 3 iso 0 dist 7.47769 14.1026 9.94704 9.80725 8.52024 11.5656 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 9.73134 13.1071 6.12348 10.3652 8.80934 14.0364 numMergedOcc 0
20 mol 113 unq 1 iso 0 dist 9.73134 7.60163 7.2672 10.3652 8.80934 12.1308 numMergedOcc 0
21 mol 146 unq 0 iso 0 dist 4.40679 11.0611 6.93154 12.6231 9.04757 5.44003 numMergedOcc 0
22 mol 146 unq 1 iso 0 dist 9.65986 10.6394 6.93154 12.8655 9.04757 5.44003 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 7.92886 4.88183 6.0033 9.69197 9.10817 7.56497 numMergedOcc 0
24 mol 197 unq 1 iso 0 dist 7.92886 4.88183 6.0033 5.10611 6.86828 5.66137 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 9.04309 11.2358 6.32334 15.4504 6.99769 6.31508 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 9.04309 11.2358 6.32334 14.4902 8.79428 5.72088 numMergedOcc 0
27 mol 224 unq 2 iso 0 dist 9.04309 11.2358 6.32334 6.32915 6.8692 6.51315 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 5.08793 4.64776 8.70029 5.7819 8.83833 6.45947 numMergedOcc 0
