0 mol 19 unq 0 iso 0 dist 9.47909 9.12608 6.16954 8.15772 7.14945 7.14713 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 9.47909 9.12608 6.16954 6.57145 6.50337 10.0039 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 7.03174 4.77227 6.64845 5.62472 5.9844 7.71372 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.36759 4.22382 7.32236 14.6904 9.07906 13.1056 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.36759 4.22382 7.32236 12.0121 8.75567 13.0177 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 5.0553 8.43173 7.32236 11.8429 9.07906 13.1056 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 5.0553 8.43173 7.32236 5.8542 8.75567 13.0177 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 7.82186 12.7301 6.14769 5.74096 8.5457 10.5565 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 7.82186 12.7301 6.14769 8.58414 6.7928 6.75714 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 7.82186 12.7301 6.14769 12.5923 7.59189 4.93797 numMergedOcc 0
10 mol 120 unq 3 iso 0 dist 5.85006 8.40361 6.14769 11.8343 8.5457 10.5565 numMergedOcc 0
11 mol 120 unq 4 iso 0 dist 5.85006 8.40361 6.14769 8.40633 6.7928 6.75714 numMergedOcc 0
12 mol 120 unq 5 iso 0 dist 5.85006 8.40361 6.14769 6.60352 7.59189 4.93797 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.87656 4.57152 9.17101 14.7987 8.86966 13.793 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.87656 4.57152 9.17101 10.8051 5.7527 11.2124 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 5.35463 10.0143 9.17101 11.7248 8.86966 13.793 numMergedOcc 0
16 mol 152 unq 3 iso 0 dist 5.35463 10.0143 9.17101 6.4987 5.7527 11.2124 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 7.78684 4.49322 9.50912 8.89995 6.85239 10.5479 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 7.78684 4.49322 9.50912 6.43506 5.72735 6.45463 numMergedOcc 0
19 mol 167 unq 2 iso 0 dist 7.78684 5.79931 5.74367 8.89995 6.85239 5.74656 numMergedOcc 0
20 mol 167 unq 3 iso 0 dist 7.78684 5.79931 5.74367 6.43506 5.72735 6.67469 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.84716 3.82682 8.11956 7.82249 9.37545 5.25279 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 5.84716 3.82682 8.11956 9.09826 6.02579 9.29114 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 5.88987 4.84679 8.11956 5.47219 9.37545 5.25279 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 5.88987 4.84679 8.11956 6.51869 6.02579 9.29114 numMergedOcc 0
25 mol 192 unq 0 iso 0 dist 9.99252 9.45543 5.90008 6.34098 8.63044 9.17442 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 8.86708 11.8119 6.93215 7.52343 5.62219 5.92474 numMergedOcc 0
27 mol 210 unq 1 iso 0 dist 5.86875 12.1997 6.93215 8.99603 5.62219 5.92474 numMergedOcc 0
28 mol 240 unq 0 iso 0 dist 9.52824 6.66143 6.91279 6.24198 5.31041 5.36005 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.46598 4.80685 4.70178 8.91606 8.13183 5.2574 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.46598 4.80685 4.70178 12.2458 6.78929 7.48984 numMergedOcc 0
31 mol 258 unq 2 iso 0 dist 7.17822 7.23554 4.70178 7.99403 8.13183 5.2574 numMergedOcc 0
32 mol 258 unq 3 iso 0 dist 7.17822 7.23554 4.70178 6.51074 6.78929 7.48984 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 7.01147 9.99305 5.46946 13.3285 9.00426 7.89933 numMergedOcc 0
34 mol 261 unq 1 iso 0 dist 9.53489 9.99305 8.24264 13.3285 8.19348 7.89933 numMergedOcc 0
35 mol 261 unq 2 iso 0 dist 9.53489 17.7278 9.66703 13.3285 8.19348 6.79406 numMergedOcc 0
36 mol 261 unq 3 iso 0 dist 8.69549 7.35811 5.46946 15.0037 9.00426 7.89933 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 8.64115 7.69985 5.62135 14.9374 8.76788 7.72959 numMergedOcc 0
38 mol 283 unq 0 iso 0 dist 6.69313 6.51788 4.1631 11.2636 8.25636 8.37369 numMergedOcc 0
