0 mol 20 unq 0 iso 0 dist 6.4934 5.48225 5.9809 9.49629 8.19827 4.7579 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.4934 9.03258 5.83917 9.49629 8.19827 3.21365 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.93199 7.06175 5.9809 5.47538 8.19827 4.7579 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.93199 3.79581 5.83917 5.47538 8.19827 3.21365 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.82012 5.56139 5.84066 12.8511 7.84204 11.3766 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.16962 8.25132 5.84066 15.962 7.84204 11.3766 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.81638 6.07871 8.13051 5.48059 8.55712 9.88975 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.33535 7.00806 7.60018 4.63196 8.88313 10.2297 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 9.33535 7.00806 7.60018 4.57635 5.48837 4.72216 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 9.33535 9.53718 7.03126 4.63196 8.88313 11.7295 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 9.33535 9.53718 7.03126 4.57635 5.48837 5.77163 numMergedOcc 0
11 mol 58 unq 5 iso 0 dist 8.26899 6.20618 7.60018 8.44881 8.88313 10.2297 numMergedOcc 0
12 mol 58 unq 6 iso 0 dist 8.26899 6.20618 7.60018 4.25144 5.48837 4.72216 numMergedOcc 0
13 mol 58 unq 7 iso 0 dist 8.26899 5.61579 7.03126 8.44881 8.88313 11.7295 numMergedOcc 0
14 mol 58 unq 8 iso 0 dist 8.26899 5.61579 7.03126 4.25144 5.48837 5.77163 numMergedOcc 0
15 mol 59 unq 0 iso 0 dist 6.23899 4.53828 8.67634 11.6713 7.92479 13.5062 numMergedOcc 0
16 mol 59 unq 1 iso 0 dist 6.23899 4.53828 8.67634 3.88148 7.86646 4.83079 numMergedOcc 0
17 mol 78 unq 0 iso 0 dist 8.30646 4.77202 5.47706 8.82915 7.03887 6.99884 numMergedOcc 0
18 mol 78 unq 1 iso 0 dist 8.30646 4.77202 5.47706 6.33118 5.36451 3.75261 numMergedOcc 0
19 mol 78 unq 2 iso 0 dist 8.30646 4.77202 5.47706 13.3135 9.28354 10.6388 numMergedOcc 0
20 mol 78 unq 3 iso 0 dist 8.30646 8.12982 8.89842 8.82915 7.03887 14.1409 numMergedOcc 0
21 mol 78 unq 4 iso 0 dist 8.30646 8.12982 8.89842 6.33118 5.36451 11.1725 numMergedOcc 0
22 mol 78 unq 5 iso 0 dist 8.30646 8.12982 8.89842 13.3135 9.28354 17.572 numMergedOcc 0
23 mol 78 unq 6 iso 0 dist 8.30646 11.8801 8.07568 8.82915 7.03887 4.75637 numMergedOcc 0
24 mol 78 unq 7 iso 0 dist 8.30646 11.8801 8.07568 6.33118 5.36451 5.62063 numMergedOcc 0
25 mol 78 unq 8 iso 0 dist 8.30646 11.8801 8.07568 13.3135 9.28354 3.81575 numMergedOcc 0
26 mol 95 unq 0 iso 0 dist 8.67367 10.2625 9.51318 12.6805 9.51981 5.76547 numMergedOcc 0
27 mol 95 unq 1 iso 0 dist 8.67367 10.2496 9.84457 12.6805 9.51981 3.62998 numMergedOcc 0
28 mol 113 unq 0 iso 0 dist 6.81812 8.50705 5.29949 7.84907 5.45882 8.39067 numMergedOcc 0
29 mol 113 unq 1 iso 0 dist 6.81812 8.50705 5.29949 4.11536 4.57487 7.44033 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 4.93785 6.8757 9.09234 6.13927 6.91878 5.09584 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 4.93785 5.71898 6.76746 6.13927 6.91878 11.4645 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 4.93785 5.83796 8.92098 6.13927 6.91878 11.5807 numMergedOcc 0
33 mol 184 unq 0 iso 0 dist 9.52936 13.8904 7.59939 7.44296 9.46392 11.8486 numMergedOcc 0
34 mol 184 unq 1 iso 0 dist 9.15417 10.3179 7.59939 5.48752 9.46392 11.8486 numMergedOcc 0
35 mol 197 unq 0 iso 0 dist 8.99696 17.0276 9.27218 11.9685 9.77656 17.435 numMergedOcc 0
36 mol 197 unq 1 iso 0 dist 8.99696 17.0276 9.27218 16.9912 9.6071 13.3283 numMergedOcc 0
37 mol 213 unq 0 iso 0 dist 8.45368 4.72944 5.461 9.90805 7.77553 6.12056 numMergedOcc 0
38 mol 213 unq 1 iso 0 dist 6.0965 10.1881 8.65196 4.67313 6.8984 6.12056 numMergedOcc 0
39 mol 213 unq 2 iso 0 dist 9.59129 10.1881 5.461 4.67313 7.77553 6.12056 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 7.46831 11.1534 8.70987 8.3225 9.86587 17.4152 numMergedOcc 0
41 mol 214 unq 1 iso 0 dist 8.60247 7.19184 8.70987 16.4035 9.86587 17.4152 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 7.17547 15.6802 8.61306 14.5747 8.5244 5.42052 numMergedOcc 0
43 mol 218 unq 1 iso 0 dist 7.13323 13.7327 8.61306 11.7256 8.5244 5.42052 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 6.25105 5.53885 7.36208 13.8525 7.91374 12.9557 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 9.5707 3.95629 8.27411 12.7879 5.69634 12.9557 numMergedOcc 0
46 mol 234 unq 2 iso 0 dist 9.5707 15.9732 6.96257 12.7879 5.69634 4.70248 numMergedOcc 0
47 mol 234 unq 3 iso 0 dist 7.85175 3.95629 7.36208 12.7879 7.91374 12.9557 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 7.48005 10.282 8.84648 6.65799 9.28024 6.12744 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 7.48005 10.067 6.23661 6.65799 9.28024 11.169 numMergedOcc 0
50 mol 259 unq 2 iso 0 dist 8.37865 4.04513 8.84648 9.53031 9.28024 6.12744 numMergedOcc 0
51 mol 259 unq 3 iso 0 dist 8.37865 7.09907 6.23661 9.53031 9.28024 11.169 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 9.19234 8.87855 6.66172 4.60007 9.85661 10.6981 numMergedOcc 0
