0 mol 21 unq 0 iso 0 dist 7.31253 5.38502 6.72231 6.3338 9.23319 5.25936 13.1141 7.62467 9.50179 13.6254 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.98333 5.39032 7.55357 4.46801 5.17241 5.09927 9.81175 9.56267 5.86972 10.0375 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.02004 13.2553 6.04551 3.47529 9.54119 15.0431 16.4599 9.46719 6.31161 18.7173 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.02004 13.2553 6.04551 13.1138 7.87476 4.92775 16.4599 9.46719 6.31161 11.1419 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.35042 5.28841 6.04551 12.4809 9.54119 15.0431 10.0982 9.46719 6.31161 18.7173 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.35042 5.28841 6.04551 4.67004 7.87476 4.92775 10.0982 9.46719 6.31161 11.1419 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.77714 13.11 6.01454 3.42062 9.77004 15.1442 14.2052 8.29103 8.36915 16.9082 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.77714 13.11 6.01454 13.5492 8.36323 4.89976 14.2052 8.29103 8.36915 13.0903 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 6.46118 4.99432 6.01454 12.971 9.77004 15.1442 10.7326 8.29103 8.36915 16.9082 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 6.46118 4.99432 6.01454 4.70736 8.36323 4.89976 10.7326 8.29103 8.36915 13.0903 numMergedOcc 0
10 mol 55 unq 0 iso 0 dist 6.71884 12.3731 6.67079 9.96122 9.07741 8.02914 11.0438 5.37162 7.14636 12.5408 numMergedOcc 0
11 mol 55 unq 1 iso 0 dist 6.71884 12.3731 6.67079 5.32648 8.0388 10.9066 11.0438 5.37162 7.14636 12.7048 numMergedOcc 0
12 mol 55 unq 2 iso 0 dist 6.71884 12.3731 6.67079 12.7872 9.7883 6.53022 11.0438 5.37162 7.14636 12.8789 numMergedOcc 0
13 mol 55 unq 3 iso 0 dist 9.25575 6.59267 6.67079 13.0046 9.07741 8.02914 9.75286 5.37162 7.14636 12.5408 numMergedOcc 0
14 mol 55 unq 4 iso 0 dist 9.25575 6.59267 6.67079 14.8358 8.0388 10.9066 9.75286 5.37162 7.14636 12.7048 numMergedOcc 0
15 mol 55 unq 5 iso 0 dist 9.25575 6.59267 6.67079 9.78627 9.7883 6.53022 9.75286 5.37162 7.14636 12.8789 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.57284 9.73725 9.45847 5.65165 8.98606 4.75805 15.0246 17.2664 7.895 10.0245 numMergedOcc 0
17 mol 184 unq 1 iso 0 dist 5.34832 12.6902 9.45847 10.8625 8.98606 4.75805 19.7409 17.2664 7.895 10.0245 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 6.86905 5.98533 5.33462 5.61713 9.91332 7.54878 10.9762 4.85921 6.74214 12.5278 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 8.9281 7.05054 6.18866 4.76162 9.38713 10.441 14.0267 5.2966 9.3807 14.5497 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.13376 15.4511 8.91916 3.94409 8.75224 15.0418 10.9643 4.70261 4.55368 10.8735 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 7.87939 5.26607 8.61786 5.36106 9.92035 6.09382 12.7807 11.4983 8.42706 10.6708 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 6.30852 8.34793 9.05509 3.53168 8.9318 11.2705 11.2314 6.17591 8.57733 14.3111 numMergedOcc 0
