0 mol 44 unq 0 iso 0 dist 7.85573 7.37043 8.6578 9.64095 7.42925 5.1728 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 6.36853 8.6578 4.83412 7.42925 5.1728 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 14.3446 5.01022 17.1697 9.32664 5.96137 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 7.28917 4.91795 5.01022 10.4547 9.32664 5.96137 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.31624 15.1994 7.95383 6.68853 9.71873 15.4757 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.68726 12.2874 7.95383 4.79924 9.71873 15.4757 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 7.46882 7.81776 7.95383 9.80492 9.71873 15.4757 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 9.82453 5.83608 9.88683 13.9156 8.06774 10.691 numMergedOcc 0
8 mol 108 unq 1 iso 0 dist 9.82453 8.04595 9.00216 13.9156 8.06774 11.7453 numMergedOcc 0
9 mol 108 unq 2 iso 0 dist 5.52402 10.5684 7.96745 5.97199 6.80069 10.7246 numMergedOcc 0
10 mol 108 unq 3 iso 0 dist 5.52402 13.7981 9.71442 5.97199 6.80069 9.94515 numMergedOcc 0
11 mol 108 unq 4 iso 0 dist 5.52402 5.69391 8.99379 5.97199 6.80069 5.71984 numMergedOcc 0
12 mol 108 unq 5 iso 0 dist 6.79804 14.1381 7.96745 6.62194 6.80069 10.7246 numMergedOcc 0
13 mol 108 unq 6 iso 0 dist 6.79804 9.46026 9.71442 6.62194 6.80069 9.94515 numMergedOcc 0
14 mol 108 unq 7 iso 0 dist 6.79804 11.3762 8.99379 6.62194 6.80069 5.71984 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 5.28955 8.52303 9.92716 4.09788 6.13508 5.93976 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 8.89412 9.98487 7.5344 7.25148 9.39811 4.65836 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.95914 8.37562 5.96907 13.2639 7.35385 12.612 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.95914 8.37562 5.96907 10.9097 8.35864 14.2446 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 6.95914 12.6264 8.55099 13.2639 7.35385 4.38393 numMergedOcc 0
20 mol 141 unq 3 iso 0 dist 6.95914 12.6264 8.55099 10.9097 8.35864 6.06881 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 9.51731 5.61836 8.16601 7.15755 8.62413 3.76192 numMergedOcc 0
22 mol 162 unq 1 iso 0 dist 8.77869 5.49559 7.34321 4.13881 9.25835 4.56165 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 8.74076 7.36529 5.51163 4.28309 7.48445 6.0456 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 4.75866 4.49604 7.92537 4.34346 6.12347 5.89415 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 4.75866 4.49604 7.92537 11.8793 8.79637 14.0491 numMergedOcc 0
26 mol 279 unq 2 iso 0 dist 7.87072 12.3159 7.92537 6.68035 6.12347 5.89415 numMergedOcc 0
27 mol 279 unq 3 iso 0 dist 7.87072 12.3159 7.92537 4.47851 8.79637 14.0491 numMergedOcc 0
