0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.68596 14.7759 13.0969 6.88805 5.99459 8.81608 10.3333 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 9.62394 9.5997 4.45625 8.69454 8.55451 13.2602 14.126 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 6.85412 8.27962 9.62394 9.5997 4.45625 5.84314 5.8245 9.71516 10.9352 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 9.62394 9.5997 6.0397 8.69454 8.55451 12.6418 14.126 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 9.62394 9.5997 6.0397 5.84314 5.8245 9.81658 10.9352 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 7.33768 4.32034 5.90981 5.69214 7.95042 11.8884 10.8435 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 9.01567 8.67951 13.2265 5.69214 7.95042 11.8884 10.8068 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.86014 9.75144 5.39241 7.29868 8.52463 13.719 5.69214 7.95042 11.8884 5.80953 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 8.6653 5.82503 12.9735 4.77954 7.99919 12.201 10.4755 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 8.95682 6.18002 4.54282 5.41726 6.6263 13.07 10.3764 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 8.95682 8.38399 4.54282 5.41726 6.75943 13.07 10.3764 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 7.21955 7.09066 10.8421 5.61579 5.38524 7.03126 10.4354 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 7.21955 7.12541 10.8421 5.61579 8.69057 7.03126 10.4354 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 6.62496 9.58673 10.2241 8.80614 9.95364 8.88332 9.87158 9.22598 15.7229 9.01564 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 6.35756 9.58673 7.05413 8.80614 5.49591 8.88332 9.87158 8.96727 15.7229 9.01564 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 6.35756 9.58673 7.05413 8.80614 5.49591 8.88332 5.86526 8.01308 12.8612 7.11065 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 9.27838 11.6378 4.67641 5.69391 9.55118 5.4605 7.58875 numMergedOcc 0
17 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 9.27838 11.6378 4.67641 13.4212 9.10345 10.8476 14.0067 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 8.91313 17.5889 10.2475 4.3481 7.06939 10.5758 12.7637 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 9.33898 8.36431 10.9701 8.16392 10.8304 6.94695 4.3481 7.06939 10.5758 11.1106 numMergedOcc 0
20 mol 92 unq 2 iso 0 dist 9.64443 8.36431 12.4284 8.91313 13.3881 10.2475 5.31547 9.36001 13.3865 12.273 numMergedOcc 0
21 mol 92 unq 3 iso 0 dist 9.64443 8.36431 12.4284 8.16392 5.90097 6.94695 5.31547 9.36001 13.3865 10.9647 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 9.60661 6.58204 10.9608 7.01812 5.80144 10.0891 4.03277 8.91882 10.259 6.59691 numMergedOcc 0
23 mol 100 unq 1 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 5.9143 7.82475 11.3652 13.9449 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 5.47563 5.35782 12.1809 13.2383 numMergedOcc 0
25 mol 100 unq 3 iso 0 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 5.9143 7.82475 11.3652 10.8812 numMergedOcc 0
26 mol 100 unq 4 iso 0 dist 7.47343 7.75343 15.209 8.76378 15.5385 4.44538 5.47563 5.35782 12.1809 11.4348 numMergedOcc 0
27 mol 100 unq 5 iso 0 dist 6.65086 7.75343 10.9608 8.30845 5.80144 10.0891 6.23008 8.91882 10.259 6.59691 numMergedOcc 0
28 mol 100 unq 6 iso 0 dist 6.65086 7.75343 10.9608 8.76378 12.3577 4.44538 6.23008 8.91882 10.259 13.2391 numMergedOcc 0
29 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 7.80523 7.74599 6.89298 5.00433 8.52024 9.74008 7.56755 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 6.18601 9.80862 9.35964 6.73586 5.13589 4.95807 4.39676 8.95212 9.56225 8.67537 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 6.18601 8.43904 10.3457 6.73586 5.13589 7.39626 4.39676 8.95212 6.13374 8.67537 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 6.49416 8.6355 5.41704 7.80532 9.87376 14.1488 12.3479 9.33094 11.7151 10.1824 numMergedOcc 0
33 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 7.92304 5.50031 9.50478 4.91785 8.97626 7.29911 9.16358 numMergedOcc 0
34 mol 155 unq 1 iso 0 dist 6.43582 7.36102 8.27726 7.92304 5.50031 5.50045 4.91785 8.97626 5.36254 9.16358 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 8.90963 8.91338 4.43678 12.9532 9.76212 14.5897 17.8171 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 8.90963 8.91338 6.03415 12.9532 9.76212 12.3788 17.8171 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 7.81386 4.93785 6.7991 9.39829 7.20191 7.30555 6.8757 6.64173 9.09234 12.6232 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 7.81386 4.93785 6.7991 9.39829 7.20191 7.30555 5.71898 9.01624 6.76746 5.99437 numMergedOcc 0
39 mol 181 unq 4 iso 0 dist 7.81386 4.93785 6.7991 9.39829 7.20191 7.30555 5.83796 9.55105 8.92098 8.4848 numMergedOcc 0
40 mol 181 unq 5 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 10.6474 6.64173 10.9785 8.12266 numMergedOcc 0
41 mol 181 unq 6 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 5.93724 9.01624 10.1634 10.5303 numMergedOcc 0
42 mol 181 unq 7 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 5.12833 9.55105 10.9567 9.43306 numMergedOcc 0
43 mol 181 unq 8 iso 0 dist 7.63312 6.93764 4.80231 6.41453 7.20191 6.05477 10.6474 6.64173 10.9785 12.6232 numMergedOcc 0
44 mol 181 unq 9 iso 0 dist 7.63312 6.93764 4.80231 6.41453 7.20191 6.05477 5.93724 9.01624 10.1634 5.99437 numMergedOcc 0
45 mol 181 unq 10 iso 0 dist 7.63312 6.93764 4.80231 6.41453 7.20191 6.05477 5.12833 9.55105 10.9567 8.4848 numMergedOcc 0
46 mol 182 unq 0 iso 0 dist 9.31746 6.73313 11.1088 6.73956 7.68794 5.8726 8.82964 9.56028 13.9393 13.3817 numMergedOcc 0
47 mol 182 unq 1 iso 0 dist 9.31746 6.73313 11.1088 7.09394 9.37404 10.7622 8.82964 9.56028 13.9393 12.6564 numMergedOcc 0
48 mol 222 unq 0 iso 0 dist 7.21333 6.82208 12.2813 7.67576 7.75656 7.39748 6.84862 5.56538 11.8745 8.43195 numMergedOcc 0
49 mol 222 unq 1 iso 0 dist 7.21333 6.82208 12.2813 7.67576 7.75656 7.39748 9.53117 7.48954 12.9858 8.23406 numMergedOcc 0
50 mol 222 unq 2 iso 0 dist 7.21333 6.82208 12.2813 9.82371 16.0949 5.08928 6.84862 5.56538 11.8745 14.0832 numMergedOcc 0
51 mol 222 unq 3 iso 0 dist 7.21333 6.82208 12.2813 9.82371 16.0949 5.08928 9.53117 7.48954 12.9858 14.9425 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 6.61986 8.19953 10.7113 9.51597 12.4692 6.99977 5.13732 8.08349 5.73591 10.7847 numMergedOcc 0
