0 mol 12 unq 0 iso 0 dist 5.44478 6.50215 7.99569 10.8946 6.1378 9.8142 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.54285 11.5928 6.80314 14.0886 7.83348 5.16502 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.54285 11.5928 6.80314 10.6012 4.2802 8.26398 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 4.70371 9.10397 9.89804 10.9149 8.45962 6.76315 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 6.37194 10.5803 9.2062 10.9426 6.04036 6.07633 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 9.01131 6.03683 9.52442 12.6961 9.9391 9.42762 numMergedOcc 0
6 mol 123 unq 1 iso 0 dist 9.01131 6.03683 9.52442 10.1093 14.0666 7.30244 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 8.60157 6.57631 6.86997 11.886 7.34563 9.17462 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 8.60157 6.57631 6.86997 7.91749 3.54257 8.74878 numMergedOcc 0
9 mol 148 unq 2 iso 0 dist 8.60157 8.40891 7.46919 11.886 7.34563 5.75959 numMergedOcc 0
10 mol 148 unq 3 iso 0 dist 8.60157 11.7674 8.24581 11.886 7.34563 6.6946 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 8.59359 6.56068 6.79381 11.782 7.33121 9.01668 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 8.59359 6.56068 6.79381 7.96309 3.59609 8.74018 numMergedOcc 0
13 mol 150 unq 2 iso 0 dist 8.59359 8.32178 7.36989 11.782 7.33121 5.4798 numMergedOcc 0
14 mol 150 unq 3 iso 0 dist 8.59359 11.7699 8.17805 11.782 7.33121 6.32391 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 6.45502 7.33177 8.07946 4.88625 5.34159 7.20362 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 8.66056 11.4363 8.07946 11.1342 5.34159 7.20362 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 9.0757 5.71349 4.88303 9.11936 7.551 9.62748 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 9.0757 5.71349 4.88303 8.20517 4.75805 5.12964 numMergedOcc 0
19 mol 184 unq 2 iso 0 dist 9.39563 12.9618 4.88303 12.9857 7.551 9.62748 numMergedOcc 0
20 mol 184 unq 3 iso 0 dist 9.39563 12.9618 4.88303 9.15923 4.75805 5.12964 numMergedOcc 0
21 mol 184 unq 4 iso 0 dist 7.51045 8.54538 4.88303 13.3171 7.551 9.62748 numMergedOcc 0
22 mol 184 unq 5 iso 0 dist 7.51045 8.54538 4.88303 6.03505 4.75805 5.12964 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 6.15396 5.73412 7.84236 8.36459 4.4471 8.46115 numMergedOcc 0
