0 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 7.11305 6.38243 4.76998 13.2086 14.3325 5.497 9.06516 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.44506 10.9837 9.5053 7.11305 6.38243 4.76998 6.73162 8.13684 12.2621 9.96121 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.27383 5.85698 6.62229 4.00553 6.87028 5.45005 10.5905 5.36808 7.6481 8.13051 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 3.9764 8.75597 3.94967 10.417 13.6622 6.0129 6.61111 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 7.77116 7.20179 8.8562 6.9194 9.6121 12.8661 9.63176 8.96522 11.8717 6.55202 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 7.77116 7.20179 8.8562 9.68677 9.57341 5.37917 14.0269 11.1324 11.1099 6.13374 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 7.77116 7.20179 8.8562 9.68677 9.57341 5.37917 9.63176 8.96522 11.8717 9.08536 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 7.77116 9.89358 7.91683 6.9194 9.6121 13.3563 9.63176 8.96522 15.8603 6.55202 numMergedOcc 0
8 mol 119 unq 4 iso 0 dist 7.77116 9.89358 7.91683 9.68677 9.57341 15.7711 14.0269 11.1324 18.7646 6.13374 numMergedOcc 0
9 mol 119 unq 5 iso 0 dist 7.77116 9.89358 7.91683 9.68677 9.57341 15.7711 9.63176 8.96522 15.8603 9.08536 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 9.46588 6.0268 5.94233 10.7549 8.66815 5.50104 7.75534 5.83002 7.36017 9.93613 numMergedOcc 0
11 mol 126 unq 1 iso 0 dist 9.46588 8.01268 8.56219 10.7549 8.66815 7.02562 7.75534 5.83002 5.14819 9.93613 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 14.2036 8.48313 16.1483 20.301 13.6926 21.0029 6.57379 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.36779 7.1797 9.30061 10.092 6.99345 11.5269 11.425 8.05714 8.55616 6.44575 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 7.36779 7.1797 9.30061 4.46337 5.11043 6.93712 11.425 8.05714 8.55616 7.43401 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 8.20836 4.57832 9.30061 16.4114 8.48313 16.1483 21.5049 13.6926 21.0029 6.57379 numMergedOcc 0
16 mol 134 unq 4 iso 0 dist 8.20836 4.57832 9.30061 12.8086 6.99345 11.5269 11.2292 8.05714 8.55616 6.44575 numMergedOcc 0
17 mol 134 unq 5 iso 0 dist 8.20836 4.57832 9.30061 7.41373 5.11043 6.93712 11.2292 8.05714 8.55616 7.43401 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.83476 10.5063 4.5271 15.0914 6.07389 5.65634 15.2392 6.20673 9.82146 7.25339 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.83476 14.4429 7.02575 15.0914 6.07389 3.87082 15.2392 6.20673 8.97471 7.25339 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 6.26839 11.6598 5.68348 11.8031 6.72182 7.41775 12.1599 7.69247 8.52969 7.10155 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 8.12346 12.0887 5.68348 9.09233 6.72182 7.41775 13.8412 7.69247 8.52969 7.10155 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 8.83356 7.11753 5.68348 4.66791 6.72182 7.41775 5.48258 7.69247 8.52969 7.10155 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 8.2654 12.8755 5.68348 7.73551 6.72182 7.41775 10.3975 7.69247 8.52969 7.10155 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 17.3148 9.87668 18.9885 12.2336 8.99405 14.999 8.91356 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 8.87609 5.76292 9.23935 17.3148 9.87668 18.9885 26.2681 18.6744 27.4341 9.59574 numMergedOcc 0
26 mol 225 unq 2 iso 0 dist 8.87609 8.21235 7.77552 17.3148 9.87668 17.5145 12.2336 8.99405 15.6422 8.91356 numMergedOcc 0
27 mol 225 unq 3 iso 0 dist 8.87609 8.21235 7.77552 17.3148 9.87668 17.5145 26.2681 18.6744 25.9825 9.59574 numMergedOcc 0
28 mol 230 unq 0 iso 0 dist 6.41286 6.33877 8.34416 9.70574 7.07833 6.1373 11.8967 6.43742 11.2145 8.10546 numMergedOcc 0
29 mol 230 unq 1 iso 0 dist 6.41286 5.0515 6.34832 9.70574 7.07833 6.19535 11.8967 6.43742 11.432 8.10546 numMergedOcc 0
