0 mol 6 unq 0 iso 0 dist 9.38351 6.10198 6.1462 16.6659 8.15992 11.5054 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 9.38351 9.37554 9.12796 16.6659 8.15992 12.0011 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.68091 12.7755 9.00925 4.66983 9.31461 15.5014 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 8.45063 8.62288 8.28673 3.84207 7.7727 4.85755 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.05728 5.05927 7.38928 11.3291 7.99434 9.85208 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 9.04543 9.59233 6.79881 5.40127 7.21223 7.71448 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 7.62107 5.24333 6.79881 3.58191 7.21223 7.71448 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 8.01516 10.5523 7.41952 12.5904 6.65972 8.14479 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 8.01516 10.5523 7.41952 7.80434 4.2253 9.07516 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 8.56386 14.7054 9.86842 10.941 8.40918 4.42208 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 5.52891 3.94367 8.98151 4.58529 9.64136 4.24788 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.13958 4.99299 7.07421 3.54691 4.4077 6.14663 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 7.13958 4.99299 7.07421 5.56761 8.4874 5.32811 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.96416 8.58899 9.07294 8.87194 9.35049 3.75786 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 9.8446 9.75412 9.59989 3.36546 9.98689 9.80262 numMergedOcc 0
15 mol 165 unq 1 iso 0 dist 9.8446 9.75412 9.59989 14.9166 5.93144 11.7431 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.7013 14.2738 8.6609 3.47137 8.06007 12.9272 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 7.7013 8.62822 6.21546 3.47137 8.06007 7.97895 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 7.7013 7.44933 6.03184 3.47137 8.06007 9.57126 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.83898 8.56706 9.08767 3.85596 5.97886 11.6447 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 8.27274 5.58522 8.84785 8.59463 5.77532 5.88434 numMergedOcc 0
21 mol 207 unq 1 iso 0 dist 8.27274 5.58522 8.84785 9.91526 8.75785 8.75857 numMergedOcc 0
22 mol 219 unq 0 iso 0 dist 7.26376 6.90398 4.67452 5.23281 8.58891 5.15128 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 9.53211 13.7123 6.51428 3.29359 9.3491 12.2668 numMergedOcc 0
24 mol 254 unq 0 iso 0 dist 5.17988 5.24816 9.36171 3.67192 7.02613 7.04725 numMergedOcc 0
25 mol 254 unq 1 iso 0 dist 5.17988 5.24816 9.36171 10.2653 8.95185 13.2196 numMergedOcc 0
26 mol 254 unq 2 iso 0 dist 5.17988 4.6577 7.87218 3.67192 7.02613 3.99032 numMergedOcc 0
27 mol 254 unq 3 iso 0 dist 5.17988 4.6577 7.87218 10.2653 8.95185 11.5993 numMergedOcc 0
28 mol 254 unq 4 iso 0 dist 8.76115 5.24816 7.53352 12.9566 8.30975 9.97794 numMergedOcc 0
29 mol 254 unq 5 iso 0 dist 8.76115 5.24816 7.53352 10.5182 8.10036 9.08435 numMergedOcc 0
30 mol 254 unq 6 iso 0 dist 8.76115 5.24816 7.53352 10.2653 8.96529 13.2196 numMergedOcc 0
31 mol 254 unq 7 iso 0 dist 8.76115 9.11887 7.80793 12.9566 8.30975 4.69026 numMergedOcc 0
32 mol 254 unq 8 iso 0 dist 8.76115 9.11887 7.80793 10.5182 8.10036 4.10825 numMergedOcc 0
33 mol 254 unq 9 iso 0 dist 8.76115 9.11887 7.80793 10.2653 8.96529 13.4679 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 6.28023 5.66978 6.12202 7.72539 8.67957 12.2201 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 9.56601 6.17316 5.78017 10.5503 9.98182 6.3791 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 9.56601 13.1019 8.78203 10.5503 9.98182 9.86569 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 6.76192 4.157 8.0935 11.7613 9.31611 14.6969 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 6.76192 4.157 8.0935 11.7613 9.31611 14.6969 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 6.76192 4.157 8.0935 11.7613 9.31611 14.6969 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 8.55037 7.77878 8.0661 3.83842 9.49562 5.07231 numMergedOcc 0
