0 mol 96 unq 0 iso 0 dist 9.13068 5.19438 5.77655 7.66327 8.92287 8.39111 numMergedOcc 0
1 mol 96 unq 1 iso 0 dist 7.93114 5.19438 8.31199 7.66327 14.8337 8.39111 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.7946 5.21813 7.65932 5.90686 12.9741 6.7117 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 7.7946 5.21813 7.65932 9.41666 11.233 4.47349 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 7.7946 5.21813 7.65932 9.57791 9.48388 5.65185 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.82774 8.91143 5.87062 13.9854 14.8418 9.22232 numMergedOcc 0
6 mol 135 unq 0 iso 0 dist 8.27195 5.95344 4.75453 5.52034 10.1401 5.62052 numMergedOcc 0
7 mol 135 unq 1 iso 0 dist 8.27195 5.95344 4.75453 9.8859 11.1218 7.85645 numMergedOcc 0
8 mol 135 unq 2 iso 0 dist 7.16327 7.8687 4.75453 9.8231 10.1401 5.62052 numMergedOcc 0
9 mol 135 unq 3 iso 0 dist 7.16327 7.8687 4.75453 10.955 11.1218 7.85645 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 7.57654 6.4477 4.50898 5.1208 8.74283 8.84535 numMergedOcc 0
11 mol 146 unq 1 iso 0 dist 7.57654 6.4477 4.50898 8.91039 12.6102 8.82188 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.1484 9.01017 5.16569 10.5409 11.1528 6.46704 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 5.97162 6.19189 6.49544 6.13422 11.305 7.76163 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 5.97162 6.19189 6.49544 9.40374 5.47189 8.73217 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 8.32373 6.67938 4.64654 5.96888 9.9539 7.32294 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 7.21783 9.24801 8.478 9.48802 13.6184 8.0871 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 6.45268 9.65238 10.2589 7.18317 10.8844 7.37798 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 9.7462 7.30188 13.2376 5.8297 10.1236 8.76935 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 9.82352 9.35785 13.8572 10.6459 19.6848 9.76787 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 6.18484 9.01292 6.48749 4.36479 7.29148 7.83341 numMergedOcc 0
