0 mol 0 unq 0 iso 0 dist 8.82108 8.90148 6.49002 15.8156 8.86609 15.1587 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 9.74371 9.08872 6.23988 14.1709 7.93028 13.2816 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 8.7041 9.84876 11.2643 9.06421 7.77633 15.0796 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 5.71901 8.19687 6.23746 5.20244 8.00048 12.7387 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 7.55357 5.86972 9.56267 9.37501 8.62204 14.6989 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 6.04551 6.31161 9.46719 13.0891 9.07969 17.9696 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 6.04551 6.31161 9.46719 14.1866 9.61448 18.9958 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 6.01454 8.36915 8.29103 12.665 8.94842 16.7433 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 6.01454 8.36915 8.29103 14.1985 9.9555 18.0898 numMergedOcc 0
9 mol 55 unq 0 iso 0 dist 7.14636 6.67079 5.37162 7.92329 9.29917 12.6066 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 8.14932 6.17846 8.91253 8.87081 6.46589 12.7629 numMergedOcc 0
11 mol 64 unq 1 iso 0 dist 6.17846 8.14932 8.91253 9.56284 8.13162 16.1657 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 7.09393 3.87167 3.83043 11.6088 9.13371 9.43916 numMergedOcc 0
13 mol 69 unq 1 iso 0 dist 3.87167 7.09393 3.83043 11.6088 9.43916 9.13371 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.67865 9.56884 14.4981 5.99325 8.67475 15.2901 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 8.67865 8.40148 10.1168 5.99325 8.67475 13.4991 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 6.54338 9.39135 4.80422 3.79867 7.06547 11.276 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 8.50054 7.47653 5.90718 9.23498 9.88678 7.06547 numMergedOcc 0
18 mol 130 unq 2 iso 0 dist 8.50054 8.97124 8.99904 9.23498 9.88678 11.276 numMergedOcc 0
19 mol 130 unq 3 iso 0 dist 7.47653 8.50054 5.90718 9.23498 7.06547 9.88678 numMergedOcc 0
20 mol 130 unq 4 iso 0 dist 7.47653 8.97124 4.80422 9.23498 7.06547 11.276 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 6.25455 8.14441 5.82281 5.71 9.26238 9.32853 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 8.14441 6.25455 5.82281 7.91652 7.97 11.1098 numMergedOcc 0
23 mol 178 unq 2 iso 0 dist 8.14441 6.25455 5.82281 11.8474 6.95432 12.3175 numMergedOcc 0
24 mol 178 unq 3 iso 0 dist 8.14441 6.25455 5.82281 5.71 9.32853 9.26238 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 9.45847 7.895 17.2664 16.6018 9.16535 23.3435 numMergedOcc 0
26 mol 197 unq 0 iso 0 dist 8.51118 6.5 7.28269 7.01801 8.18029 11.5003 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 4.51269 7.65323 7.34999 9.15206 9.6093 15.8253 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 8.63033 8.02214 7.07077 4.61338 5.83021 9.18711 numMergedOcc 0
29 mol 206 unq 2 iso 0 dist 8.02214 8.63033 7.07077 4.61338 9.18711 5.83021 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 7.28395 9.11574 13.0983 numMergedOcc 0
31 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 7.49477 9.11574 13.0983 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 7.25293 9.81136 9.46821 4.47554 5.79617 10.9167 numMergedOcc 0
33 mol 220 unq 0 iso 0 dist 7.57712 7.20255 5.88344 7.47274 7.27248 9.50216 numMergedOcc 0
34 mol 220 unq 1 iso 0 dist 7.20255 7.57712 5.88344 7.47274 9.50216 7.27248 numMergedOcc 0
35 mol 220 unq 2 iso 0 dist 8.98362 7.57716 13.3644 4.606 9.21416 11.5277 numMergedOcc 0
36 mol 223 unq 0 iso 0 dist 7.80764 9.29204 16.0208 8.1388 8.85178 15.6162 numMergedOcc 0
37 mol 223 unq 1 iso 0 dist 7.80764 9.29204 16.0208 14.288 9.73123 23.4915 numMergedOcc 0
38 mol 223 unq 2 iso 0 dist 7.80764 9.14789 16.2327 8.1388 8.85178 16.4821 numMergedOcc 0
39 mol 223 unq 3 iso 0 dist 7.80764 9.14789 16.2327 14.288 9.73123 22.3512 numMergedOcc 0
40 mol 223 unq 4 iso 0 dist 7.80764 5.75896 7.12929 8.1388 8.85178 5.50267 numMergedOcc 0
41 mol 223 unq 5 iso 0 dist 7.80764 5.75896 7.12929 14.288 9.73123 15.0085 numMergedOcc 0
42 mol 223 unq 6 iso 0 dist 5.75896 9.29204 11.898 8.1388 5.50267 15.6162 numMergedOcc 0
43 mol 223 unq 7 iso 0 dist 5.75896 9.14789 13.5741 8.1388 5.50267 16.4821 numMergedOcc 0
44 mol 223 unq 8 iso 0 dist 5.75896 7.80764 7.12929 8.1388 5.50267 8.85178 numMergedOcc 0
45 mol 249 unq 0 iso 0 dist 7.58833 9.04715 7.46941 6.46469 9.1515 14.1233 numMergedOcc 0
46 mol 266 unq 0 iso 0 dist 6.58277 9.63694 15.3443 12.6355 9.97206 21.7188 numMergedOcc 0
47 mol 266 unq 1 iso 0 dist 8.42706 8.61786 11.4983 16.8963 9.97206 21.027 numMergedOcc 0
48 mol 279 unq 0 iso 0 dist 5.78017 8.78203 10.71 4.91802 8.9352 5.8845 numMergedOcc 0
49 mol 279 unq 1 iso 0 dist 6.12742 7.319 10.8005 9.35656 8.9352 13.7765 numMergedOcc 0
50 mol 279 unq 2 iso 0 dist 6.12742 9.45886 5.48262 9.35656 8.9352 14.3863 numMergedOcc 0
51 mol 279 unq 3 iso 0 dist 8.78203 5.78017 10.71 4.91802 5.8845 8.9352 numMergedOcc 0
52 mol 279 unq 4 iso 0 dist 9.98985 7.22295 8.47795 7.38256 5.60922 10.2864 numMergedOcc 0
