0 mol 25 unq 0 iso 0 dist 9.26381 10.4307 5.97432 14.9746 8.27137 6.86525 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.29367 3.69603 7.53604 6.90794 9.37435 5.81834 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.29367 8.35279 8.85591 6.90794 9.37435 3.62391 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 5.29367 9.19323 9.67576 6.90794 9.37435 8.26998 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.07937 3.69603 9.70778 15.1234 9.63803 15.0821 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 6.42206 13.9878 9.70778 7.56492 9.63803 15.0821 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 9.66602 19.215 9.70778 13.5965 9.63803 15.0821 numMergedOcc 0
7 mol 30 unq 0 iso 0 dist 8.20049 7.47204 5.64067 9.10395 5.61567 4.60505 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 8.20049 7.47204 5.64067 8.88132 8.46981 6.70839 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 8.6783 13.653 8.19484 10.9738 8.0072 7.20383 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.61468 10.4399 6.54185 7.18645 7.32064 7.68515 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.61468 10.4399 6.54185 6.85342 5.24136 4.57743 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 8.61468 10.4399 6.54185 10.4457 6.44687 4.60481 numMergedOcc 0
13 mol 78 unq 3 iso 0 dist 8.61468 10.4399 6.54185 12.613 5.85007 9.75971 numMergedOcc 0
14 mol 78 unq 4 iso 0 dist 8.61468 14.263 9.68502 7.18645 7.32064 13.8124 numMergedOcc 0
15 mol 78 unq 5 iso 0 dist 8.61468 14.263 9.68502 6.85342 5.24136 10.3996 numMergedOcc 0
16 mol 78 unq 6 iso 0 dist 8.61468 14.263 9.68502 10.4457 6.44687 3.90674 numMergedOcc 0
17 mol 78 unq 7 iso 0 dist 8.61468 14.263 9.68502 12.613 5.85007 13.8571 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 9.04935 10.6431 5.69384 9.01045 8.59739 4.4921 numMergedOcc 0
19 mol 103 unq 0 iso 0 dist 6.79564 12.0156 9.7171 3.98194 4.49975 10.9236 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 8.28452 5.93237 6.20553 7.05148 6.12348 7.48733 numMergedOcc 0
21 mol 113 unq 1 iso 0 dist 8.44004 7.14947 6.20553 13.2701 6.12348 7.48733 numMergedOcc 0
22 mol 128 unq 0 iso 0 dist 8.98367 10.8853 6.17362 6.79263 9.45412 9.79089 numMergedOcc 0
23 mol 128 unq 1 iso 0 dist 8.54297 5.34549 9.85832 12.3248 8.83385 11.9575 numMergedOcc 0
24 mol 128 unq 2 iso 0 dist 8.54297 5.34549 9.85832 10.6485 7.11781 9.21247 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 8.87505 14.0139 7.39532 11.1633 5.82945 6.76477 numMergedOcc 0
26 mol 130 unq 1 iso 0 dist 8.87505 4.91324 6.62468 11.1633 5.82945 10.6057 numMergedOcc 0
27 mol 169 unq 0 iso 0 dist 8.56204 5.78448 6.29631 7.26442 6.27683 7.59743 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 6.17825 5.03475 6.62391 11.725 9.71835 7.01099 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.86805 5.81384 9.39659 6.11441 6.22195 5.67713 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 6.86805 7.90451 8.25445 6.11441 6.22195 3.34253 numMergedOcc 0
31 mol 270 unq 0 iso 0 dist 6.55866 10.3057 8.05859 3.8694 6.46935 6.81331 numMergedOcc 0
32 mol 270 unq 1 iso 0 dist 6.55866 10.3057 8.05859 5.76483 5.98384 8.99387 numMergedOcc 0
