0 mol 18 unq 0 iso 0 dist 7.37356 7.426 9.51761 7.53082 7.3094 9.70492 6.07208 7.55766 12.4713 6.48196 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 7.37356 7.53082 7.3094 7.426 9.51761 9.70492 6.07208 7.55766 6.48196 12.4713 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 15.6642 7.17969 4.33106 10.812 6.90155 9.36158 10.1525 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 8.94828 15.6642 7.17969 14.2406 7.57578 4.33106 10.812 6.90155 10.1525 9.36158 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 13.0232 6.19965 5.42586 11.5334 7.1589 6.37974 5.08358 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 11.5334 7.1589 5.08358 6.37974 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 15.1765 6.48948 9.51923 5.90298 7.26086 7.32662 13.4985 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 9.83528 15.1765 6.48948 12.3158 5.08437 9.51923 5.90298 7.26086 13.4985 7.32662 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.83528 12.3158 5.08437 8.06684 6.10456 8.40073 5.90298 7.26086 7.32662 6.934 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 9.83528 8.06684 6.10456 12.3158 5.08437 8.40073 5.90298 7.26086 6.934 7.32662 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 8.06684 6.10456 9.42358 5.90298 7.26086 13.4985 6.934 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 9.83528 8.06684 6.10456 15.1765 6.48948 9.42358 5.90298 7.26086 6.934 13.4985 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 7.54969 11.7493 5.08437 10.3366 6.48948 9.51923 8.8736 7.26086 7.32662 13.4985 numMergedOcc 0
13 mol 98 unq 2 iso 1 dist 7.54969 10.3366 6.48948 11.7493 5.08437 9.51923 8.8736 7.26086 13.4985 7.32662 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 5.15322 6.10456 8.40073 8.8736 7.26086 7.32662 6.934 numMergedOcc 0
15 mol 98 unq 3 iso 1 dist 7.54969 5.15322 6.10456 11.7493 5.08437 8.40073 8.8736 7.26086 6.934 7.32662 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 7.54969 10.3366 6.48948 5.15322 6.10456 9.42358 8.8736 7.26086 13.4985 6.934 numMergedOcc 0
17 mol 98 unq 3 iso 1 dist 7.54969 5.15322 6.10456 10.3366 6.48948 9.42358 8.8736 7.26086 6.934 13.4985 numMergedOcc 0
18 mol 120 unq 0 iso 0 dist 5.06555 7.75534 8.75408 5.61914 6.44653 5.23036 10.214 8.93905 7.27181 10.5192 numMergedOcc 0
19 mol 120 unq 0 iso 1 dist 5.06555 5.61914 6.44653 7.75534 8.75408 5.23036 10.214 8.93905 10.5192 7.27181 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 4.9155 9.30817 6.54501 10.879 6.49416 5.00526 7.07077 5.53031 5.35679 8.46636 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 4.9155 10.879 6.49416 9.30817 6.54501 5.00526 7.07077 5.53031 8.46636 5.35679 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.49987 6.47843 6.54501 10.9399 6.49416 5.00526 5.92316 5.53031 5.35679 8.46636 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 8.49987 10.9399 6.49416 6.47843 6.54501 5.00526 5.92316 5.53031 8.46636 5.35679 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.42271 6.16353 6.54501 7.07625 6.49416 5.00526 10.7289 5.53031 5.35679 8.46636 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 9.42271 7.07625 6.49416 6.16353 6.54501 5.00526 10.7289 5.53031 8.46636 5.35679 numMergedOcc 0
26 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 13.5268 7.73169 5.50998 7.78477 9.17106 12.6057 8.38032 numMergedOcc 0
27 mol 142 unq 0 iso 1 dist 8.86346 13.5268 7.73169 16.7609 9.2313 5.50998 7.78477 9.17106 8.38032 12.6057 numMergedOcc 0
28 mol 142 unq 1 iso 0 dist 8.86346 16.7609 9.2313 12.1759 8.96657 11.1395 7.78477 9.17106 12.6057 8.16815 numMergedOcc 0
29 mol 142 unq 1 iso 1 dist 8.86346 12.1759 8.96657 16.7609 9.2313 11.1395 7.78477 9.17106 8.16815 12.6057 numMergedOcc 0
30 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 12.1759 8.96657 5.92693 7.78477 9.17106 8.38032 8.16815 numMergedOcc 0
31 mol 142 unq 1 iso 1 dist 8.86346 12.1759 8.96657 13.5268 7.73169 5.92693 7.78477 9.17106 8.16815 8.38032 numMergedOcc 0
32 mol 142 unq 2 iso 0 dist 4.93681 12.8283 9.2313 10.1677 7.73169 5.50998 6.74129 9.17106 12.6057 8.38032 numMergedOcc 0
33 mol 142 unq 2 iso 1 dist 4.93681 10.1677 7.73169 12.8283 9.2313 5.50998 6.74129 9.17106 8.38032 12.6057 numMergedOcc 0
34 mol 142 unq 3 iso 0 dist 4.93681 12.8283 9.2313 10.0866 8.96657 11.1395 6.74129 9.17106 12.6057 8.16815 numMergedOcc 0
35 mol 142 unq 3 iso 1 dist 4.93681 10.0866 8.96657 12.8283 9.2313 11.1395 6.74129 9.17106 8.16815 12.6057 numMergedOcc 0
36 mol 142 unq 3 iso 0 dist 4.93681 10.1677 7.73169 10.0866 8.96657 5.92693 6.74129 9.17106 8.38032 8.16815 numMergedOcc 0
37 mol 142 unq 3 iso 1 dist 4.93681 10.0866 8.96657 10.1677 7.73169 5.92693 6.74129 9.17106 8.16815 8.38032 numMergedOcc 0
38 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 13.0519 6.43573 5.34677 5.24118 4.92088 10.1489 8.27339 numMergedOcc 0
39 mol 178 unq 0 iso 1 dist 8.04723 13.0519 6.43573 14.4072 6.69288 5.34677 5.24118 4.92088 8.27339 10.1489 numMergedOcc 0
40 mol 178 unq 1 iso 0 dist 8.04723 14.4072 6.69288 10.5681 7.17202 11.7381 5.24118 4.92088 10.1489 9.79302 numMergedOcc 0
41 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 14.4072 6.69288 11.7381 5.24118 4.92088 9.79302 10.1489 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 8.04723 14.4072 6.69288 9.1499 8.81551 14.0703 5.24118 4.92088 10.1489 8.65097 numMergedOcc 0
43 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 14.4072 6.69288 14.0703 5.24118 4.92088 8.65097 10.1489 numMergedOcc 0
44 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 10.5681 7.17202 9.89739 5.24118 4.92088 8.27339 9.79302 numMergedOcc 0
45 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 13.0519 6.43573 9.89739 5.24118 4.92088 9.79302 8.27339 numMergedOcc 0
46 mol 178 unq 2 iso 0 dist 8.04723 13.0519 6.43573 9.1499 8.81551 10.5529 5.24118 4.92088 8.27339 8.65097 numMergedOcc 0
47 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 13.0519 6.43573 10.5529 5.24118 4.92088 8.65097 8.27339 numMergedOcc 0
48 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 9.1499 8.81551 5.18005 5.24118 4.92088 9.79302 8.65097 numMergedOcc 0
49 mol 178 unq 2 iso 1 dist 8.04723 9.1499 8.81551 10.5681 7.17202 5.18005 5.24118 4.92088 8.65097 9.79302 numMergedOcc 0
50 mol 220 unq 0 iso 0 dist 8.14644 12.2116 9.23153 12.2916 8.24498 10.5449 6.53366 5.45036 6.17628 10.4136 numMergedOcc 0
51 mol 220 unq 0 iso 1 dist 8.14644 12.2916 8.24498 12.2116 9.23153 10.5449 6.53366 5.45036 10.4136 6.17628 numMergedOcc 0
52 mol 220 unq 1 iso 0 dist 8.14644 12.2116 9.23153 12.2916 8.24498 10.5449 9.80599 9.97586 14.0253 6.20511 numMergedOcc 0
53 mol 220 unq 1 iso 1 dist 8.14644 12.2916 8.24498 12.2116 9.23153 10.5449 9.80599 9.97586 6.20511 14.0253 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 8.97461 10.4685 6.22714 11.6506 7.31233 5.34096 11.3332 5.64181 10.216 7.83352 numMergedOcc 0
55 mol 238 unq 0 iso 1 dist 8.97461 11.6506 7.31233 10.4685 6.22714 5.34096 11.3332 5.64181 7.83352 10.216 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 11.3302 8.49997 6.33073 12.9095 9.56685 5.90436 12.106 numMergedOcc 0
57 mol 274 unq 0 iso 1 dist 9.13226 11.3302 8.49997 10.7073 7.56915 6.33073 12.9095 9.56685 12.106 5.90436 numMergedOcc 0
58 mol 274 unq 1 iso 0 dist 9.13226 10.7073 7.56915 11.3302 8.49997 6.33073 16.3353 8.49922 9.27829 12.9674 numMergedOcc 0
59 mol 274 unq 1 iso 1 dist 9.13226 11.3302 8.49997 10.7073 7.56915 6.33073 16.3353 8.49922 12.9674 9.27829 numMergedOcc 0
