0 mol 4 unq 0 iso 0 dist 6.3317 6.13926 7.08659 4.56495 8.93278 4.39452 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.3317 6.13926 7.08659 11.1723 8.68164 12.4745 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.7871 6.94749 8.79638 11.0435 9.2146 14.8033 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 7.7871 7.04268 6.42785 11.0435 9.2146 14.2352 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 7.7871 6.5776 5.75809 11.0435 9.2146 6.51818 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 8.70331 13.9733 6.89423 4.87576 8.78511 12.9345 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 4.07334 11.5018 8.5893 10.9062 9.59073 6.28359 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 4.07334 7.04664 8.22608 10.9062 9.59073 14.1804 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.81735 9.65232 7.62814 5.17091 9.41463 13.2646 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 9.32525 9.78229 9.55023 12.2859 9.63906 15.057 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 9.32525 6.6491 4.39888 12.2859 9.63906 8.48041 numMergedOcc 0
11 mol 68 unq 2 iso 0 dist 9.05444 6.6491 5.29595 12.2859 7.71872 8.48041 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 7.17133 14.5675 9.13024 15.9536 9.08745 6.98976 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 8.63446 6.3566 8.96446 6.55381 7.62463 8.53951 numMergedOcc 0
14 mol 91 unq 0 iso 0 dist 8.91998 15.03 9.67751 5.09341 7.71625 10.5737 numMergedOcc 0
15 mol 107 unq 0 iso 0 dist 7.2168 15.5768 9.4238 9.89064 5.31375 10.1677 numMergedOcc 0
16 mol 107 unq 1 iso 0 dist 7.2168 15.5768 9.4238 13.076 6.49371 10.1326 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.56217 11.9085 7.26295 5.39223 4.45769 11.023 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.56217 11.9085 7.26295 7.15294 8.99961 12.3736 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 9.81055 11.9085 7.31316 5.39223 5.89939 11.023 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 9.81055 11.9085 7.31316 7.15294 8.18853 12.3736 numMergedOcc 0
21 mol 194 unq 4 iso 0 dist 9.81055 13.7794 8.9865 5.39223 5.89939 9.72284 numMergedOcc 0
22 mol 194 unq 5 iso 0 dist 9.81055 13.7794 8.9865 7.15294 8.18853 8.10284 numMergedOcc 0
23 mol 251 unq 0 iso 0 dist 8.15014 9.69379 9.20256 5.04918 7.72528 7.52349 numMergedOcc 0
24 mol 251 unq 1 iso 0 dist 6.06154 11.957 9.20256 12.3351 7.72528 7.52349 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 9.09279 15.5066 7.38867 15.5357 9.81261 8.846 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 8.17436 9.20687 9.57637 7.94344 4.93516 8.58414 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 8.17436 9.20687 9.57637 7.94344 4.93516 8.58414 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.17436 9.20687 9.57637 7.94344 4.93516 8.58414 numMergedOcc 0
