0 mol 78 unq 0 iso 0 dist 9.53794 6.02034 10.2267 3.93133 12.389 6.77808 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 9.84346 6.02034 11.4479 3.93133 9.46472 6.77808 numMergedOcc 0
2 mol 78 unq 2 iso 0 dist 9.46472 6.77808 11.4479 3.93133 9.84346 6.02034 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.57953 6.67575 5.42278 10.3429 12.2233 8.9889 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 7.12336 6.23615 12.4479 10.5425 11.6694 9.21256 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 7.12336 6.23615 12.4479 12.3753 15.667 8.3243 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 7.12336 6.23615 12.4479 14.0664 19.5009 8.95239 numMergedOcc 0
7 mol 133 unq 3 iso 0 dist 8.64946 9.63488 10.5368 11.1037 17.2577 9.31907 numMergedOcc 0
8 mol 139 unq 0 iso 0 dist 8.49892 8.27507 7.41954 7.6075 14.573 9.99665 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.15747 5.83335 4.07773 3.75614 8.74903 7.86724 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 8.15747 9.92635 16.0056 3.75614 8.74903 7.85507 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 8.74903 7.86724 4.07773 3.75614 8.15747 5.83335 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 8.74903 7.85507 16.0056 3.75614 8.15747 9.92635 numMergedOcc 0
13 mol 183 unq 4 iso 0 dist 5.44125 5.83335 9.7245 3.75614 7.11505 7.86724 numMergedOcc 0
14 mol 183 unq 5 iso 0 dist 5.44125 9.92635 7.93856 3.75614 7.11505 7.85507 numMergedOcc 0
15 mol 183 unq 6 iso 0 dist 7.11505 7.86724 9.7245 3.75614 5.44125 5.83335 numMergedOcc 0
16 mol 183 unq 7 iso 0 dist 7.11505 7.85507 7.93856 3.75614 5.44125 9.92635 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 8.97651 9.0153 10.3135 3.98055 11.6884 9.89207 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 9.91429 7.19213 7.76556 3.78668 11.3502 5.67196 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 9.16638 9.71082 13.6728 9.60695 16.4646 6.11539 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 6.40339 7.279 5.34664 4.32316 9.5348 8.43448 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 8.23739 8.43067 5.95774 5.6769 10.9959 7.6127 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 5.30455 7.97113 4.77489 5.25523 6.8184 8.38479 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 5.30455 5.22111 4.59239 5.25523 6.8184 8.53598 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 7.34794 7.97113 7.10624 5.25523 10.6881 8.38479 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 7.34794 5.22111 5.09929 5.25523 10.6881 8.53598 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 6.8184 8.38479 4.77489 5.25523 5.30455 7.97113 numMergedOcc 0
27 mol 259 unq 5 iso 0 dist 6.8184 8.53598 4.59239 5.25523 5.30455 5.22111 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 5.43053 3.90274 4.90213 6.47501 11.8556 9.33447 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 8.36393 8.80418 10.147 10.8201 16.7494 8.80555 numMergedOcc 0
