0 mol 41 unq 0 iso 0 dist 8.45063 5.31016 12.5752 9.08934 4.68793 11.6539 10.7583 7.64235 14.3379 6.59294 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 8.45063 5.31016 12.5752 9.08934 4.68793 11.6539 6.24565 6.00623 10.1253 5.62412 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 8.45063 5.31016 12.5752 9.08934 4.68793 11.6539 5.14132 6.59367 6.73801 5.0364 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.61357 7.69638 9.98108 12.0007 9.05547 13.6427 4.07863 8.10708 9.43355 14.134 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.61448 7.31633 11.3682 10.1805 8.96061 16.4619 6.2062 6.61636 7.34698 12.8483 numMergedOcc 0
5 mol 171 unq 0 iso 0 dist 6.20851 6.21194 6.4423 9.22906 6.01711 9.61462 9.38497 7.13078 12.4821 5.38746 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 6.7407 9.38737 4.67407 8.6578 8.70197 13.1713 10.5012 7.33162 8.41245 13.5291 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.7013 7.42278 7.04147 12.3666 6.73365 12.1542 4.65504 7.77669 7.04177 10.3111 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 7.7013 7.42278 7.04147 12.3067 9.45659 14.966 4.65504 7.77669 7.04177 10.6973 numMergedOcc 0
9 mol 175 unq 2 iso 0 dist 7.7013 7.42278 7.04147 7.28603 9.44856 12.4656 4.65504 7.77669 7.04177 6.27043 numMergedOcc 0
10 mol 219 unq 0 iso 0 dist 7.26376 7.13099 6.66401 5.0241 8.09769 7.59632 6.16486 9.38761 11.4406 4.74167 numMergedOcc 0
11 mol 219 unq 1 iso 0 dist 7.26376 7.13099 6.66401 4.36122 7.24832 10.3776 6.16486 9.38761 11.4406 4.9853 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.55805 6.32097 5.45485 15.5892 7.30244 11.1525 10.8658 9.13234 12.299 12.4477 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 8.55805 6.32097 5.45485 15.0704 7.29796 12.3455 10.8658 9.13234 12.299 12.3083 numMergedOcc 0
14 mol 273 unq 0 iso 0 dist 6.73794 6.38341 7.10817 5.75973 6.54753 8.83865 9.11005 6.59786 8.68913 4.89568 numMergedOcc 0
15 mol 273 unq 1 iso 0 dist 6.73794 6.38341 7.10817 5.75973 6.54753 8.83865 13.7838 7.96519 10.8919 11.5447 numMergedOcc 0
16 mol 273 unq 2 iso 0 dist 6.73794 9.78826 4.30863 5.75973 6.54753 10.7715 9.11005 6.59786 10.5134 4.89568 numMergedOcc 0
17 mol 273 unq 3 iso 0 dist 6.73794 9.78826 4.30863 5.75973 6.54753 10.7715 13.7838 7.96519 8.85779 11.5447 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.90956 7.76945 8.32567 5.25853 7.30618 8.91712 4.26276 8.40198 5.59555 4.62998 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 6.90956 7.76945 8.32567 5.25853 7.30618 8.91712 9.92609 9.95761 16.1426 12.5126 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 6.90956 7.76945 8.32567 5.25853 7.30618 8.91712 4.26276 8.40198 5.59555 4.62998 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 6.90956 7.76945 8.32567 5.25853 7.30618 8.91712 9.92609 9.95761 16.1426 12.5126 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 6.90956 7.76945 8.32567 5.25853 7.30618 8.91712 4.26276 8.40198 5.59555 4.62998 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 6.90956 7.76945 8.32567 5.25853 7.30618 8.91712 9.92609 9.95761 16.1426 12.5126 numMergedOcc 0
