0 mol 32 unq 0 iso 0 dist 8.68559 7.93694 7.18766 13.8141 6.49199 9.65897 8.91596 4.84198 5.9972 5.33785 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.40841 4.55117 8.80108 9.97819 10.7257 7.60018 8.34191 3.8375 8.88313 10.2297 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.40841 4.55117 8.80108 9.97819 10.7257 7.60018 6.39747 6.11446 5.48837 4.72216 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 6.40841 4.55117 8.80108 8.69057 11.0945 7.03126 8.34191 3.8375 8.88313 11.7295 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 6.40841 4.55117 8.80108 8.69057 11.0945 7.03126 6.39747 6.11446 5.48837 5.77163 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 7.58407 14.7581 8.80108 18.2125 10.7257 7.60018 9.9779 3.8375 8.88313 10.2297 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 7.58407 14.7581 8.80108 18.2125 10.7257 7.60018 13.5879 6.11446 5.48837 4.72216 numMergedOcc 0
7 mol 58 unq 6 iso 0 dist 7.58407 14.7581 8.80108 18.0198 11.0945 7.03126 9.9779 3.8375 8.88313 11.7295 numMergedOcc 0
8 mol 58 unq 7 iso 0 dist 7.58407 14.7581 8.80108 18.0198 11.0945 7.03126 13.5879 6.11446 5.48837 5.77163 numMergedOcc 0
9 mol 58 unq 8 iso 0 dist 6.31428 10.3782 8.80108 14.4477 10.7257 7.60018 9.79064 3.8375 8.88313 10.2297 numMergedOcc 0
10 mol 58 unq 9 iso 0 dist 6.31428 10.3782 8.80108 14.4477 10.7257 7.60018 10.307 6.11446 5.48837 4.72216 numMergedOcc 0
11 mol 58 unq 10 iso 0 dist 6.31428 10.3782 8.80108 13.1897 11.0945 7.03126 9.79064 3.8375 8.88313 11.7295 numMergedOcc 0
12 mol 58 unq 11 iso 0 dist 6.31428 10.3782 8.80108 13.1897 11.0945 7.03126 10.307 6.11446 5.48837 5.77163 numMergedOcc 0
13 mol 88 unq 0 iso 0 dist 8.66514 5.90098 7.71582 10.2942 6.67934 5.28732 9.07128 3.99025 6.1847 5.06277 numMergedOcc 0
14 mol 88 unq 1 iso 0 dist 8.66514 5.90098 7.71582 10.2942 6.67934 5.28732 6.65615 6.69123 4.70557 5.70431 numMergedOcc 0
15 mol 88 unq 2 iso 0 dist 9.25235 5.90098 6.65776 10.2942 4.39545 5.28732 9.07128 6.08504 6.1847 5.06277 numMergedOcc 0
16 mol 88 unq 3 iso 0 dist 9.25235 5.90098 6.65776 10.2942 4.39545 5.28732 6.65615 3.77436 4.70557 5.70431 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 6.73814 6.95201 8.39249 5.7144 4.81369 5.51885 12.7678 12.4143 7.93956 8.25866 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 6.68292 11.1063 8.74171 12.3088 7.09198 5.461 11.8641 8.90887 7.77553 6.12056 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 8.53199 7.47048 6.75035 9.24601 10.1772 8.61306 7.84952 6.19774 8.5244 5.42052 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 8.1945 3.92979 8.91356 18.3753 14.7677 9.27079 14.9585 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 5.50387 10.7506 8.75834 14.181 9.35263 9.57455 18.3753 14.7677 9.27079 7.82941 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 6.16063 5.9221 8.49841 8.84746 6.00588 8.27411 9.7221 11.8096 5.69634 12.9557 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 6.16063 5.9221 8.49841 11.1846 14.8966 6.96257 9.7221 11.8096 5.69634 4.70248 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 7.67853 5.7074 6.75716 11.5372 9.96809 9.19905 13.3184 13.0091 9.48951 5.32084 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 6.50589 5.31116 8.49866 6.4611 5.70568 6.66172 13.2967 15.8795 9.85661 10.6981 numMergedOcc 0
