0 mol 0 unq 0 iso 0 dist 8.24206 6.19218 9.98828 9.5614 13.3337 6.83587 9.56842 7.30381 11.9766 11.2263 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 6.22805 5.70161 4.57188 11.8191 5.27578 8.94586 10.6926 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.0166 9.90117 10.2796 6.22805 5.70161 6.09254 11.8191 5.27578 13.9391 10.6926 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.32945 8.0166 5.63739 6.22805 4.57188 5.70161 11.8191 8.94586 5.27578 10.6926 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.32945 9.90117 5.38328 6.22805 4.57188 6.09254 11.8191 8.94586 13.9391 10.6926 numMergedOcc 0
5 mol 12 unq 0 iso 0 dist 5.9021 8.98466 12.3127 8.17618 7.58748 6.89226 7.81704 4.49007 15.7238 11.7116 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 5.86972 7.55357 9.56267 8.86547 10.4994 5.29179 5.60016 9.18985 11.5789 14.162 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 6.01454 8.36915 8.29103 5.36645 9.26483 8.03277 10.7098 6.99001 13.0397 15.4171 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 8.14932 6.17846 8.91253 8.66921 9.82646 5.33496 10.713 8.8633 14.0535 17.1477 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.60363 5.39171 5.05066 4.24428 10.4402 8.04817 15.52 9.53327 14.2184 16.3471 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.60363 5.39171 5.05066 6.30194 8.0624 5.2774 15.52 9.53327 14.2184 16.1385 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 8.60363 9.27355 4.4628 4.24428 10.4402 9.76331 15.52 9.53327 12.4862 16.3471 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.60363 9.27355 4.4628 6.30194 8.0624 5.44275 15.52 9.53327 12.4862 16.1385 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 10.3139 9.27911 12.4201 14.1487 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 6.21546 8.6609 6.77498 6.73365 5.50014 6.15969 7.04147 8.57607 10.7245 12.1542 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 6.21546 8.6609 6.77498 9.45659 7.39186 11.0866 10.3139 9.27911 12.4201 16.2084 numMergedOcc 0
16 mol 175 unq 3 iso 0 dist 6.21546 8.6609 6.77498 9.45659 7.39186 11.0866 7.04147 8.57607 10.7245 14.966 numMergedOcc 0
17 mol 175 unq 4 iso 0 dist 6.21546 8.6609 6.77498 9.44856 7.05768 13.5907 10.3139 9.27911 12.4201 12.5221 numMergedOcc 0
18 mol 175 unq 5 iso 0 dist 6.21546 8.6609 6.77498 9.44856 7.05768 13.5907 7.04147 8.57607 10.7245 12.4656 numMergedOcc 0
19 mol 175 unq 6 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 10.3139 9.27911 13.2069 14.1487 numMergedOcc 0
20 mol 175 unq 7 iso 0 dist 6.21546 6.03184 7.01839 6.73365 5.50014 7.28617 7.04147 8.57607 11.4305 12.1542 numMergedOcc 0
21 mol 175 unq 8 iso 0 dist 6.21546 6.03184 7.01839 9.45659 7.39186 5.77256 10.3139 9.27911 13.2069 16.2084 numMergedOcc 0
22 mol 175 unq 9 iso 0 dist 6.21546 6.03184 7.01839 9.45659 7.39186 5.77256 7.04147 8.57607 11.4305 14.966 numMergedOcc 0
23 mol 175 unq 10 iso 0 dist 6.21546 6.03184 7.01839 9.44856 7.05768 4.96871 10.3139 9.27911 13.2069 12.5221 numMergedOcc 0
24 mol 175 unq 11 iso 0 dist 6.21546 6.03184 7.01839 9.44856 7.05768 4.96871 7.04147 8.57607 11.4305 12.4656 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 6.24111 8.60412 9.07869 8.07523 5.82028 4.62641 6.15611 8.87054 14.1377 13.2105 numMergedOcc 0
26 mol 210 unq 1 iso 0 dist 9.00343 7.05535 9.07869 7.56882 5.82028 4.62641 10.7435 8.87054 14.1377 13.2105 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 7.25293 9.81136 9.46821 8.47248 7.84001 4.82712 5.30923 7.43301 13.9681 12.458 numMergedOcc 0
28 mol 223 unq 0 iso 0 dist 7.80764 9.29204 16.0208 9.94212 4.67731 18.385 10.5593 6.64193 19.6879 7.48463 numMergedOcc 0
29 mol 223 unq 1 iso 0 dist 7.80764 9.29204 16.0208 7.34316 11.4951 8.16187 10.5593 6.64193 19.6879 16.4299 numMergedOcc 0
30 mol 223 unq 2 iso 0 dist 7.80764 9.14789 16.2327 9.94212 4.67731 19.0281 10.5593 6.64193 18.5863 7.48463 numMergedOcc 0
31 mol 223 unq 3 iso 0 dist 7.80764 9.14789 16.2327 7.34316 11.4951 11.2364 10.5593 6.64193 18.5863 16.4299 numMergedOcc 0
32 mol 223 unq 4 iso 0 dist 7.80764 5.75896 7.12929 9.94212 4.67731 7.19485 10.5593 6.64193 11.867 7.48463 numMergedOcc 0
33 mol 223 unq 5 iso 0 dist 7.80764 5.75896 7.12929 7.34316 11.4951 5.18719 10.5593 6.64193 11.867 16.4299 numMergedOcc 0
34 mol 223 unq 6 iso 0 dist 5.75896 9.29204 11.898 9.94212 7.19485 18.385 5.64061 8.12403 13.2677 10.0619 numMergedOcc 0
35 mol 223 unq 7 iso 0 dist 5.75896 9.29204 11.898 7.34316 5.18719 8.16187 5.64061 8.12403 13.2677 10.8051 numMergedOcc 0
36 mol 223 unq 8 iso 0 dist 5.75896 9.14789 13.5741 9.94212 7.19485 19.0281 5.64061 8.12403 12.568 10.0619 numMergedOcc 0
37 mol 223 unq 9 iso 0 dist 5.75896 9.14789 13.5741 7.34316 5.18719 11.2364 5.64061 8.12403 12.568 10.8051 numMergedOcc 0
38 mol 223 unq 10 iso 0 dist 5.75896 7.80764 7.12929 9.94212 7.19485 4.67731 5.64061 8.12403 10.0535 10.0619 numMergedOcc 0
39 mol 223 unq 11 iso 0 dist 5.75896 7.80764 7.12929 7.34316 5.18719 11.4951 5.64061 8.12403 10.0535 10.8051 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 6.6537 9.08719 11.6002 7.04127 6.46679 7.85135 6.66792 6.48885 15.2008 10.0553 numMergedOcc 0
41 mol 250 unq 0 iso 0 dist 8.18086 8.38141 12.269 8.60184 8.69877 7.64126 8.5106 5.99119 14.6626 13.504 numMergedOcc 0
42 mol 250 unq 1 iso 0 dist 8.18086 5.08366 9.8248 8.60184 8.69877 5.03985 8.5106 5.99119 12.5245 13.504 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 9.07452 7.21004 10.3541 6.21831 6.57235 4.97216 16.1753 8.30714 14.6318 12.727 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 6.44266 8.75703 10.3541 9.79674 9.61244 10.7877 7.28382 8.30714 14.6318 8.91672 numMergedOcc 0
45 mol 274 unq 2 iso 0 dist 6.44266 8.75703 10.3541 8.3291 6.57235 4.97216 7.28382 8.30714 14.6318 12.727 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 8.78203 5.78017 10.71 6.47376 5.86731 5.34376 14.4524 8.16582 17.9117 13.337 numMergedOcc 0
