0 mol 53 unq 0 iso 0 dist 5.40748 5.34876 5.63499 8.17272 7.28228 5.55291 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 5.73799 10.4407 9.4072 5.65355 7.07095 6.73736 numMergedOcc 0
2 mol 155 unq 0 iso 0 dist 7.25009 5.49557 8.99128 10.4606 8.97626 14.7612 numMergedOcc 0
3 mol 167 unq 0 iso 0 dist 8.77904 12.154 9.47168 6.64464 7.68266 5.74656 numMergedOcc 0
4 mol 167 unq 1 iso 0 dist 8.77904 12.154 9.47168 5.70785 7.6616 11.2312 numMergedOcc 0
5 mol 167 unq 2 iso 0 dist 8.77904 12.154 9.47168 7.91498 9.2289 6.67469 numMergedOcc 0
6 mol 167 unq 3 iso 0 dist 6.48993 12.154 9.76579 6.64464 6.84752 5.74656 numMergedOcc 0
7 mol 167 unq 4 iso 0 dist 6.48993 12.154 9.76579 5.70785 7.86563 11.2312 numMergedOcc 0
8 mol 167 unq 5 iso 0 dist 6.48993 12.154 9.76579 7.91498 7.02548 6.67469 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 7.30338 4.65845 5.51167 12.1014 6.02086 10.9775 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.52441 7.99002 6.84679 11.7795 7.2793 5.5366 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 6.0033 10.3089 7.86042 7.56497 9.10817 7.17757 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 6.0033 10.3089 7.86042 5.66137 6.86828 5.75906 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 7.25438 10.6299 8.69052 9.20928 8.14831 10.3976 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 7.13727 5.64173 5.52788 6.45589 9.12776 10.313 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 7.13727 5.64173 5.52788 12.521 9.72188 7.04671 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 8.56975 4.11566 5.52788 9.23693 9.12776 10.313 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 8.56975 4.11566 5.52788 9.18011 9.72188 7.04671 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 7.63381 17.1937 9.993 9.86326 6.73665 13.3838 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 7.63381 17.1937 9.993 5.82779 9.34438 16.5315 numMergedOcc 0
20 mol 239 unq 2 iso 0 dist 7.63381 17.1937 9.993 13.5224 9.35949 10.3956 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.59142 15.1753 8.34313 11.6042 6.35028 4.51031 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 5.72473 10.5329 9.63325 8.04474 7.20674 16.264 numMergedOcc 0
