0 mol 8 unq 0 iso 0 dist 9.95422 7.65219 11.2227 9.00925 15.0835 15.5539 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 7.65219 9.95422 11.2227 9.00925 15.5539 15.0835 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.8824 8.33492 13.4477 9.3147 5.83115 15.1867 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 8.33492 6.8824 13.4477 9.3147 15.1867 5.83115 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 6.8824 8.33492 13.4477 9.79426 13.3381 6.1852 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 8.33492 6.8824 13.4477 9.79426 6.1852 13.3381 numMergedOcc 0
6 mol 33 unq 0 iso 0 dist 7.99091 9.82882 8.83381 8.43688 10.264 6.40736 numMergedOcc 0
7 mol 33 unq 0 iso 1 dist 9.82882 7.99091 8.83381 8.43688 6.40736 10.264 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.65989 8.66272 8.01112 8.36915 5.70853 4.8908 numMergedOcc 0
9 mol 48 unq 0 iso 1 dist 8.66272 9.65989 8.01112 8.36915 4.8908 5.70853 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 9.65989 8.66272 8.01112 6.01454 11.7008 5.82846 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 8.66272 9.65989 8.01112 6.01454 5.82846 11.7008 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.4963 7.74278 12.8407 7.96689 7.52391 7.72261 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 7.74278 7.4963 12.8407 7.96689 7.72261 7.52391 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.4963 7.74278 12.8407 4.83134 11.7196 4.27464 numMergedOcc 0
15 mol 133 unq 1 iso 1 dist 7.74278 7.4963 12.8407 4.83134 4.27464 11.7196 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 7.4963 8.08807 13.1218 7.96689 7.52391 13.0543 numMergedOcc 0
17 mol 133 unq 2 iso 1 dist 8.08807 7.4963 13.1218 7.96689 13.0543 7.52391 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 7.4963 8.08807 13.1218 4.83134 11.7196 8.08082 numMergedOcc 0
19 mol 133 unq 3 iso 1 dist 8.08807 7.4963 13.1218 4.83134 8.08082 11.7196 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 7.74278 8.08807 9.34083 7.96689 7.72261 13.0543 numMergedOcc 0
21 mol 133 unq 2 iso 1 dist 8.08807 7.74278 9.34083 7.96689 13.0543 7.72261 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 7.74278 8.08807 9.34083 4.83134 4.27464 8.08082 numMergedOcc 0
23 mol 133 unq 3 iso 1 dist 8.08807 7.74278 9.34083 4.83134 8.08082 4.27464 numMergedOcc 0
24 mol 133 unq 4 iso 0 dist 7.74278 8.54607 5.13345 9.07294 13.4864 16.2835 numMergedOcc 0
25 mol 133 unq 4 iso 1 dist 8.54607 7.74278 5.13345 9.07294 16.2835 13.4864 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 7.78154 5.9183 10.0419 6.68364 4.62682 9.74045 numMergedOcc 0
27 mol 143 unq 0 iso 1 dist 5.9183 7.78154 10.0419 6.68364 9.74045 4.62682 numMergedOcc 0
28 mol 165 unq 0 iso 0 dist 9.13163 7.74717 16.7745 9.59989 14.676 11.997 numMergedOcc 0
29 mol 165 unq 0 iso 1 dist 7.74717 9.13163 16.7745 9.59989 11.997 14.676 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 7.52542 9.58979 4.80965 8.88067 7.14852 11.028 numMergedOcc 0
31 mol 210 unq 0 iso 1 dist 9.58979 7.52542 4.80965 8.88067 11.028 7.14852 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 7.16899 9.27693 9.59763 7.41298 4.76856 5.37459 numMergedOcc 0
33 mol 241 unq 0 iso 1 dist 9.27693 7.16899 9.59763 7.41298 5.37459 4.76856 numMergedOcc 0
34 mol 241 unq 1 iso 0 dist 7.16899 9.27693 9.59763 9.99337 11.0792 5.02153 numMergedOcc 0
35 mol 241 unq 1 iso 1 dist 9.27693 7.16899 9.59763 9.99337 5.02153 11.0792 numMergedOcc 0
36 mol 254 unq 0 iso 0 dist 9.62779 8.8044 16.4739 7.53352 9.73538 14.2144 numMergedOcc 0
37 mol 254 unq 0 iso 1 dist 8.8044 9.62779 16.4739 7.53352 14.2144 9.73538 numMergedOcc 0
38 mol 254 unq 1 iso 0 dist 9.62779 8.8044 16.4739 7.80793 8.88569 11.6112 numMergedOcc 0
39 mol 254 unq 1 iso 1 dist 8.8044 9.62779 16.4739 7.80793 11.6112 8.88569 numMergedOcc 0
