0 mol 7 unq 0 iso 0 dist 8.8576 5.83293 6.8464 10.4545 8.41585 5.0893 6.68629 7.78327 10.1033 13.5229 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 6.09311 7.49157 4.19221 8.66248 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.13365 8.35576 8.0319 10.5449 6.86014 11.4109 9.56533 7.73794 6.17633 6.73521 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.34549 8.23892 9.80897 4.76147 8.34347 12.8257 8.82979 7.98005 4.28862 12.5438 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 7.34549 8.23892 9.80897 4.76147 8.34347 12.8257 3.63999 8.31381 4.93643 8.39015 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 7.34549 5.19532 8.37225 4.76147 8.34347 8.70636 8.82979 7.98005 5.34503 12.5438 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 7.34549 5.19532 8.37225 4.76147 8.34347 8.70636 3.63999 8.31381 4.74002 8.39015 numMergedOcc 0
7 mol 26 unq 4 iso 0 dist 8.09068 14.6126 9.80897 6.30129 8.34347 12.8257 12.3884 7.98005 4.28862 12.5438 numMergedOcc 0
8 mol 26 unq 5 iso 0 dist 8.09068 14.6126 9.80897 6.30129 8.34347 12.8257 11.7163 8.31381 4.93643 8.39015 numMergedOcc 0
9 mol 26 unq 6 iso 0 dist 8.09068 9.51004 8.37225 6.30129 8.34347 8.70636 12.3884 7.98005 5.34503 12.5438 numMergedOcc 0
10 mol 26 unq 7 iso 0 dist 8.09068 9.51004 8.37225 6.30129 8.34347 8.70636 11.7163 8.31381 4.74002 8.39015 numMergedOcc 0
11 mol 26 unq 8 iso 0 dist 9.72289 17.2928 9.80897 5.93227 8.34347 12.8257 15.7944 7.98005 4.28862 12.5438 numMergedOcc 0
12 mol 26 unq 9 iso 0 dist 9.72289 17.2928 9.80897 5.93227 8.34347 12.8257 13.5789 8.31381 4.93643 8.39015 numMergedOcc 0
13 mol 26 unq 10 iso 0 dist 9.72289 12.8246 8.37225 5.93227 8.34347 8.70636 15.7944 7.98005 5.34503 12.5438 numMergedOcc 0
14 mol 26 unq 11 iso 0 dist 9.72289 12.8246 8.37225 5.93227 8.34347 8.70636 13.5789 8.31381 4.74002 8.39015 numMergedOcc 0
15 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 15.1595 8.80331 14.0204 14.2755 9.02471 3.83842 12.6657 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 14.2755 9.02471 3.83842 14.0654 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 8.054 8.9579 8.75778 9.57532 8.37808 9.00329 10.2953 4.42563 6.39355 7.90729 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 5.0146 9.00072 15.2106 12.2243 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 5.0146 9.00072 15.2106 4.73288 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 5.0146 9.00072 15.2106 4.70284 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 7.14849 12.4035 9.63185 6.96904 6.69288 14.4816 8.84201 4.72821 11.1931 4.69387 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 7.14849 12.4035 9.63185 7.57303 6.43573 10.2893 8.84201 4.72821 11.1931 3.70233 numMergedOcc 0
23 mol 178 unq 2 iso 0 dist 7.14849 12.4035 9.63185 14.0459 7.17202 9.7684 8.84201 4.72821 11.1931 7.39705 numMergedOcc 0
24 mol 178 unq 3 iso 0 dist 7.14849 12.4035 9.63185 14.3001 8.81551 5.37264 8.84201 4.72821 11.1931 9.77268 numMergedOcc 0
25 mol 178 unq 4 iso 0 dist 8.63718 7.28647 9.63185 11.5509 6.69288 14.4816 7.09333 4.72821 11.1931 4.69387 numMergedOcc 0
26 mol 178 unq 5 iso 0 dist 8.63718 7.28647 9.63185 7.31401 6.43573 10.2893 7.09333 4.72821 11.1931 3.70233 numMergedOcc 0
27 mol 178 unq 6 iso 0 dist 8.63718 7.28647 9.63185 5.91018 7.17202 9.7684 7.09333 4.72821 11.1931 7.39705 numMergedOcc 0
28 mol 178 unq 7 iso 0 dist 8.63718 7.28647 9.63185 4.92895 8.81551 5.37264 7.09333 4.72821 11.1931 9.77268 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 6.04106 11.4325 7.51951 12.9245 7.26832 5.04299 3.95968 7.13783 11.1775 13.3822 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 7.94694 4.45877 8.11407 5.1071 7.7366 7.72969 5.69659 4.51255 3.98316 7.83734 numMergedOcc 0
31 mol 206 unq 1 iso 0 dist 7.51923 4.45877 8.95375 5.39127 8.02137 6.84704 5.69659 6.23183 3.98316 8.20841 numMergedOcc 0
32 mol 206 unq 2 iso 0 dist 7.51923 4.45877 8.95375 5.1071 9.774 7.72969 5.69659 6.23183 3.98316 7.83734 numMergedOcc 0
33 mol 206 unq 3 iso 0 dist 7.51923 10.6096 9.29007 5.39127 8.02137 12.4178 5.69659 6.23183 13.2719 8.20841 numMergedOcc 0
34 mol 206 unq 4 iso 0 dist 7.51923 10.6096 9.29007 5.1071 9.774 9.9578 5.69659 6.23183 13.2719 7.83734 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 9.64889 10.6345 4.81916 15.4648 9.7748 7.94155 13.4595 4.9764 9.21484 11.8607 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 9.64889 10.6345 4.81916 15.4648 9.7748 7.94155 13.6295 6.36559 10.3506 10.9137 numMergedOcc 0
