0 mol 4 unq 0 iso 0 dist 9.31285 8.60134 14.3737 9.82659 17.6118 8.68164 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.66947 8.60134 11.1776 9.82659 16.5132 8.68164 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.49709 5.59847 4.10106 13.2938 6.84216 9.89425 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.81762 8.44727 6.75472 4.86477 10.1931 9.46349 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 5.32149 8.44727 5.67577 4.86477 9.1397 9.46349 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 5.36895 4.29713 7.18662 7.22338 12.2915 7.31718 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 5.36895 4.29713 7.18662 5.36021 6.40219 5.47447 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 5.9651 6.09085 7.50975 11.023 10.4695 5.64092 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 5.9651 6.09085 7.50975 8.24064 13.7382 8.71074 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 8.29727 7.21134 11.6801 16.036 19.8756 9.08745 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 6.77833 8.63204 12.7012 5.00416 11.5684 7.99194 numMergedOcc 0
11 mol 70 unq 1 iso 0 dist 6.77833 5.4014 8.20805 5.00416 11.5684 7.80313 numMergedOcc 0
12 mol 70 unq 2 iso 0 dist 9.83265 9.19079 12.7012 4.00828 11.5684 7.99194 numMergedOcc 0
13 mol 70 unq 3 iso 0 dist 9.83265 8.37742 8.20805 4.00828 11.5684 7.80313 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 15.4242 12.0815 8.39955 numMergedOcc 0
15 mol 78 unq 0 iso 0 dist 9.29446 8.56119 9.76194 9.62606 10.1937 9.80913 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 5.8992 8.56119 5.7558 9.62606 12.4015 9.80913 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 7.90775 8.57607 4.99174 6.56529 7.51733 4.3439 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 7.90775 6.1991 4.46005 6.56529 7.51733 6.05855 numMergedOcc 0
19 mol 95 unq 2 iso 0 dist 8.49531 8.57607 16.6518 6.56529 15.0497 4.3439 numMergedOcc 0
20 mol 95 unq 3 iso 0 dist 8.49531 6.1991 13.1525 6.56529 15.0497 6.05855 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 8.34839 9.4275 5.39112 14.7423 10.338 8.60651 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 6.44195 8.59532 4.55687 11.1637 10.7623 7.47401 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 7.34207 8.59532 13.5599 11.1637 17.2262 7.47401 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 6.28961 8.89822 5.7891 12.9917 9.37946 4.11374 numMergedOcc 0
25 mol 169 unq 1 iso 0 dist 6.28961 8.89822 5.7891 12.2955 9.13646 8.37602 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.52413 8.9388 15.4336 9.09753 11.8448 9.17458 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 9.52413 8.9388 15.4336 6.7472 10.0218 7.36794 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 6.0639 8.95209 11.6282 4.59453 9.65093 9.4366 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 6.91355 8.95209 10.5033 4.59453 11.3524 9.4366 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 9.25882 6.32553 3.56269 3.30102 8.26637 4.97301 numMergedOcc 0
31 mol 214 unq 0 iso 0 dist 9.43611 5.56977 8.48942 6.35783 14.8017 8.7434 numMergedOcc 0
32 mol 217 unq 0 iso 0 dist 7.58097 8.28155 13.7271 5.14513 11.9577 6.19602 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 7.151 9.22453 11.2997 9.7252 12.762 5.13533 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 8.53324 9.22453 4.40029 9.7252 7.42932 5.13533 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 7.23956 9.22453 3.97543 9.7252 4.9764 5.13533 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 6.44657 7.12723 10.8644 8.32005 13.3277 4.27826 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 6.44657 7.12723 10.8644 7.07384 13.1368 5.82074 numMergedOcc 0
