0 mol 34 unq 0 iso 0 dist 8.65429 13.0088 9.31883 13.9848 9.92713 6.15801 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.65429 13.0088 9.31883 17.2283 15.7295 9.63403 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.65429 13.0088 9.31883 20.9988 16.4972 8.07314 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.87476 9.04936 8.95402 14.5465 12.69 7.59316 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.07614 5.44629 4.92457 9.22331 3.23074 5.53589 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 9.21258 10.9414 4.92457 10.6742 3.23074 5.53589 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.14547 5.32605 7.66942 11.5958 15.0139 7.62738 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.00059 11.0397 6.4569 7.78223 3.67473 7.42482 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 9.87517 5.83696 6.4569 12.2512 3.67473 7.42482 numMergedOcc 0
9 mol 114 unq 2 iso 0 dist 7.90713 4.99413 6.4569 10.0602 3.67473 7.42482 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.80185 12.6656 8.88454 11.8903 3.80087 9.78667 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 9.80185 12.6656 8.88454 7.35385 3.80763 6.73983 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 9.80185 12.6656 8.88454 8.35864 9.98068 7.64956 numMergedOcc 0
13 mol 141 unq 3 iso 0 dist 9.80185 14.7644 9.48581 11.8903 3.80087 8.47026 numMergedOcc 0
14 mol 141 unq 4 iso 0 dist 9.80185 14.7644 9.48581 7.35385 3.80763 8.6387 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 8.78397 5.77969 5.42715 5.11444 5.83776 5.06613 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 9.15935 8.41671 5.22104 10.0516 5.64188 7.46845 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 8.24388 6.88531 5.22104 11.8338 5.64188 7.46845 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.005 8.99916 8.46395 9.53805 5.39534 5.45675 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 9.60788 12.5181 5.78717 13.5935 7.29209 6.37788 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.8226 15.1406 6.58003 13.0998 3.64991 6.00582 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 9.2653 10.9639 6.58003 12.1073 3.64991 6.00582 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 8.33309 4.7189 6.58003 5.68253 3.64991 6.00582 numMergedOcc 0
23 mol 237 unq 0 iso 0 dist 5.12878 5.91026 7.95072 11.2533 11.9967 6.07878 numMergedOcc 0
24 mol 237 unq 1 iso 0 dist 5.12878 5.91026 7.95072 11.4777 9.68512 7.80422 numMergedOcc 0
25 mol 237 unq 2 iso 0 dist 5.12878 5.91026 7.95072 5.62039 3.68966 5.06628 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 6.71152 11.2901 8.38453 10.3055 3.99887 7.39391 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 9.137 12.0513 6.3738 9.6479 5.68255 8.15091 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 9.62817 11.6299 6.11157 11.2957 3.96862 6.82575 numMergedOcc 0
29 mol 260 unq 0 iso 0 dist 7.30584 8.01289 4.64695 14.3879 7.28821 7.99521 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.48076 8.7465 8.78893 5.92532 12.1127 7.85414 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 9.48076 11.1293 4.61089 15.5761 11.6159 8.81717 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 8.04081 12.7243 8.78893 18.7651 12.1127 7.85414 numMergedOcc 0
33 mol 277 unq 3 iso 0 dist 8.04081 7.29318 4.61089 13.7313 11.6159 8.81717 numMergedOcc 0
