0 mol 41 unq 0 iso 0 dist 8.91418 7.10946 6.42834 13.3754 5.0364 8.51663 15.7708 9.68811 8.94326 6.19529 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 6.0961 4.08339 6.42834 5.41493 5.0364 8.51663 5.09229 9.68811 8.94326 6.19529 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.23914 3.63144 5.84875 7.20538 6.28202 7.16773 6.93876 11.465 6.63327 8.66265 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.57958 12.656 5.39745 11.0291 6.99832 6.95572 4.71849 5.81965 9.50382 7.4729 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.57958 12.656 5.39745 11.0291 6.99832 6.95572 13.6329 9.70512 7.56363 6.82344 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 9.43335 14.3207 6.46089 11.9443 6.01455 7.78652 17.1897 9.27292 6.48978 5.99315 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 9.9492 6.3462 6.46089 13.375 6.01455 7.78652 12.7468 9.27292 6.48978 5.99315 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 7.62575 8.61147 9.80845 10.6076 6.34186 7.92304 10.4606 7.51198 5.50031 6.43582 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 8.45395 12.0718 9.06217 9.86845 6.25083 6.2479 9.47799 6.94688 6.6251 9.1374 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 8.45395 12.0718 9.06217 9.86845 6.25083 6.2479 17.6006 12.1309 7.81713 8.03334 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 8.45395 12.0718 9.06217 13.0329 5.86342 7.99195 9.47799 6.94688 6.6251 5.98885 numMergedOcc 0
11 mol 181 unq 3 iso 0 dist 8.45395 12.0718 9.06217 13.0329 5.86342 7.99195 19.5061 14.4632 10.09 9.09537 numMergedOcc 0
12 mol 181 unq 4 iso 0 dist 9.15368 13.7282 9.06217 12.5284 6.25083 6.2479 9.09989 6.94688 6.6251 9.1374 numMergedOcc 0
13 mol 181 unq 5 iso 0 dist 9.15368 13.7282 9.06217 12.5284 6.25083 6.2479 19.7383 12.1309 7.81713 8.03334 numMergedOcc 0
14 mol 181 unq 6 iso 0 dist 9.15368 13.7282 9.06217 12.9014 5.86342 7.99195 9.09989 6.94688 6.6251 5.98885 numMergedOcc 0
15 mol 181 unq 7 iso 0 dist 9.15368 13.7282 9.06217 12.9014 5.86342 7.99195 19.2011 14.4632 10.09 9.09537 numMergedOcc 0
16 mol 181 unq 8 iso 0 dist 9.20477 10.6331 9.06217 12.0593 6.25083 6.2479 4.98009 6.94688 6.6251 9.1374 numMergedOcc 0
17 mol 181 unq 9 iso 0 dist 9.20477 10.6331 9.06217 12.0593 6.25083 6.2479 17.6676 12.1309 7.81713 8.03334 numMergedOcc 0
18 mol 181 unq 10 iso 0 dist 9.20477 10.6331 9.06217 10.3248 5.86342 7.99195 4.98009 6.94688 6.6251 5.98885 numMergedOcc 0
19 mol 181 unq 11 iso 0 dist 9.20477 10.6331 9.06217 10.3248 5.86342 7.99195 14.4699 14.4632 10.09 9.09537 numMergedOcc 0
20 mol 181 unq 12 iso 0 dist 5.41368 12.0718 7.13252 9.86845 4.77278 6.2479 9.47799 6.71012 6.6251 9.1374 numMergedOcc 0
21 mol 181 unq 13 iso 0 dist 5.41368 12.0718 7.13252 9.86845 4.77278 6.2479 17.6006 12.2058 7.81713 8.03334 numMergedOcc 0
22 mol 181 unq 14 iso 0 dist 5.41368 12.0718 7.13252 13.0329 9.14057 7.99195 9.47799 6.71012 6.6251 5.98885 numMergedOcc 0
23 mol 181 unq 15 iso 0 dist 5.41368 12.0718 7.13252 13.0329 9.14057 7.99195 19.5061 15.4777 10.09 9.09537 numMergedOcc 0
24 mol 181 unq 16 iso 0 dist 7.96182 13.7282 7.13252 12.5284 4.77278 6.2479 9.09989 6.71012 6.6251 9.1374 numMergedOcc 0
25 mol 181 unq 17 iso 0 dist 7.96182 13.7282 7.13252 12.5284 4.77278 6.2479 19.7383 12.2058 7.81713 8.03334 numMergedOcc 0
26 mol 181 unq 18 iso 0 dist 7.96182 13.7282 7.13252 12.9014 9.14057 7.99195 9.09989 6.71012 6.6251 5.98885 numMergedOcc 0
27 mol 181 unq 19 iso 0 dist 7.96182 13.7282 7.13252 12.9014 9.14057 7.99195 19.2011 15.4777 10.09 9.09537 numMergedOcc 0
28 mol 181 unq 20 iso 0 dist 7.90237 10.6331 7.13252 12.0593 4.77278 6.2479 4.98009 6.71012 6.6251 9.1374 numMergedOcc 0
29 mol 181 unq 21 iso 0 dist 7.90237 10.6331 7.13252 12.0593 4.77278 6.2479 17.6676 12.2058 7.81713 8.03334 numMergedOcc 0
30 mol 181 unq 22 iso 0 dist 7.90237 10.6331 7.13252 10.3248 9.14057 7.99195 4.98009 6.71012 6.6251 5.98885 numMergedOcc 0
31 mol 181 unq 23 iso 0 dist 7.90237 10.6331 7.13252 10.3248 9.14057 7.99195 14.4699 15.4777 10.09 9.09537 numMergedOcc 0
32 mol 181 unq 24 iso 0 dist 9.70025 6.02828 8.9289 10.0354 13.3389 5.9176 6.20895 7.37327 5.63555 7.63312 numMergedOcc 0
33 mol 181 unq 25 iso 0 dist 6.17129 6.78739 7.05653 9.84952 6.7991 5.94469 4.3158 4.93785 7.77758 7.81386 numMergedOcc 0
34 mol 181 unq 26 iso 0 dist 6.17129 6.78739 7.05653 9.84952 6.7991 5.94469 12.9554 10.1232 12.5387 7.63312 numMergedOcc 0
35 mol 181 unq 27 iso 0 dist 5.83596 11.3693 7.05653 10.8641 6.7991 5.94469 4.3226 4.93785 7.77758 7.81386 numMergedOcc 0
36 mol 181 unq 28 iso 0 dist 5.83596 11.3693 7.05653 10.8641 6.7991 5.94469 10.2384 10.1232 12.5387 7.63312 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 9.08641 5.18732 9.84492 9.44405 11.7299 8.73217 14.7094 17.7634 11.7429 7.54065 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 9.61294 6.36084 7.17337 9.29752 13.5597 9.40808 9.60401 11.4727 4.9377 8.27212 numMergedOcc 0
39 mol 235 unq 0 iso 0 dist 8.19915 3.93066 7.95766 9.11256 4.65302 9.55668 6.84447 8.21247 7.60081 5.4638 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.96197 5.18265 6.87131 13.4956 8.85181 9.24557 18.901 13.9989 14.7883 5.72887 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 6.24435 5.18265 8.09718 13.4956 11.9142 9.24557 18.901 16.5748 14.7883 5.72887 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 9.53092 11.7116 8.71497 12.348 11.6195 7.98231 5.95833 10.9591 8.41846 8.13497 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 9.53092 11.7116 8.71497 12.348 11.6195 7.98231 4.77548 7.48005 8.81835 7.88519 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 9.53092 11.7116 8.71497 11.6963 5.79468 7.08526 4.77548 7.48005 8.81835 7.46176 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 8.44015 5.29885 5.91213 10.7818 5.12409 5.93616 11.2529 9.0012 7.52936 6.24356 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 6.21206 5.29885 7.34094 10.7818 9.67998 5.93616 11.2529 9.5784 7.52936 6.24356 numMergedOcc 0
