0 mol 8 unq 0 iso 0 dist 7.70793 7.55301 8.94096 14.1846 7.12263 14.5611 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.70793 7.55301 8.94096 6.1146 5.00267 6.69972 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.70793 5.95206 9.07858 14.1846 7.12263 12.9762 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 7.70793 5.95206 9.07858 6.1146 5.00267 6.3125 numMergedOcc 0
4 mol 13 unq 0 iso 0 dist 7.56303 10.6468 8.00865 5.97329 9.10587 7.65383 numMergedOcc 0
5 mol 13 unq 1 iso 0 dist 7.56303 6.28453 9.11447 5.97329 9.10587 8.58799 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.64844 6.97983 6.93364 10.0435 8.63361 11.952 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 8.64844 10.4068 6.34821 10.0435 8.63361 11.0362 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 6.59067 10.8447 8.98797 6.70602 6.91393 5.73443 numMergedOcc 0
9 mol 56 unq 1 iso 0 dist 6.59067 10.8447 8.98797 9.48435 8.40038 11.075 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 8.98302 10.0339 7.30343 7.4595 6.86146 5.75015 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 8.52122 8.37101 7.92876 5.10213 8.77841 5.7284 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.2746 11.3281 9.87025 6.0453 8.03035 11.1324 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.2746 6.21945 5.85818 6.0453 8.03035 8.96522 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 7.77159 10.0825 9.47362 11.6972 9.71408 5.63464 numMergedOcc 0
15 mol 154 unq 1 iso 0 dist 7.77159 11.0324 6.28417 11.6972 9.71408 13.5582 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 8.63783 7.00982 6.87906 13.516 5.90883 10.5496 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 8.63783 9.50607 8.49473 13.516 5.90883 13.3907 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 8.63783 7.69314 7.94975 13.516 5.90883 9.19336 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 8.63783 16.0317 9.39865 13.516 5.90883 4.24398 numMergedOcc 0
20 mol 156 unq 4 iso 0 dist 7.96867 7.00982 9.54367 10.6551 4.9941 14.2138 numMergedOcc 0
21 mol 156 unq 5 iso 0 dist 7.96867 7.00982 9.54367 13.516 8.06913 10.5496 numMergedOcc 0
22 mol 156 unq 6 iso 0 dist 7.96867 7.69314 7.26859 10.6551 4.9941 10.1294 numMergedOcc 0
23 mol 156 unq 7 iso 0 dist 7.96867 7.69314 7.26859 13.516 8.06913 9.19336 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 7.64106 10.9684 8.21476 14.604 7.3546 9.79955 numMergedOcc 0
25 mol 163 unq 1 iso 0 dist 7.64106 8.9019 7.66897 14.604 7.3546 12.6283 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.52129 12.4402 7.61203 10.4401 9.89583 10.6355 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 6.52129 12.4266 9.47845 10.4401 9.89583 6.48619 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 6.52129 11.091 6.92409 10.4401 9.89583 5.8333 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 6.52129 10.4365 6.89694 10.4401 9.89583 16.1577 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 5.71854 6.66547 8.27054 10.5039 7.97588 12.9607 numMergedOcc 0
31 mol 284 unq 1 iso 0 dist 7.66625 4.83989 8.27054 9.06151 7.97588 12.9607 numMergedOcc 0
32 mol 286 unq 0 iso 0 dist 9.41529 9.35274 8.72146 5.12535 5.91064 10.4684 numMergedOcc 0
