0 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 7.685 10.3635 8.43188 8.6653 5.82503 5.64303 12.9735 4.77954 7.99919 11.0249 12.201 10.4755 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.83618 10.4442 9.49077 8.95682 6.18002 8.38399 4.54282 5.41726 6.6263 6.75943 13.07 10.3764 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 9.83618 9.49077 10.4442 8.95682 8.38399 6.18002 4.54282 5.41726 6.75943 6.6263 13.07 10.3764 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 8.26899 5.98837 4.55117 7.21955 7.09066 7.12541 10.8421 5.61579 5.38524 8.69057 7.03126 10.4354 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 8.26899 5.98837 10.3782 7.21955 7.09066 5.74871 10.8421 5.61579 5.38524 13.1897 7.03126 10.4354 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 8.26899 4.55117 5.98837 7.21955 7.12541 7.09066 10.8421 5.61579 8.69057 5.38524 7.03126 10.4354 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.32874 9.55426 5.90225 8.26899 4.55117 10.3782 7.21955 7.12541 5.74871 10.8421 5.61579 8.69057 13.1897 7.03126 10.4354 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 6.62496 6.86465 5.30792 9.58673 10.2241 5.92889 8.80614 9.95364 10.2049 8.88332 9.87158 9.22598 13.3281 15.7229 9.01564 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 6.62496 6.35756 4.81926 9.58673 10.2241 7.05413 8.80614 9.95364 5.49591 8.88332 9.87158 9.22598 8.96727 15.7229 9.01564 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 8.80614 5.49591 10.2049 8.88332 9.87158 8.96727 13.3281 15.7229 9.01564 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 6.35756 6.86465 5.35073 9.58673 7.05413 5.92889 8.80614 5.49591 10.2049 8.88332 5.86526 8.01308 11.5155 12.8612 7.11065 numMergedOcc 0
11 mol 58 unq 8 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 8.80614 5.49591 9.95364 8.88332 9.87158 8.96727 9.22598 15.7229 9.01564 numMergedOcc 0
12 mol 58 unq 9 iso 0 dist 6.35756 6.62496 4.81926 9.58673 7.05413 10.2241 8.80614 5.49591 9.95364 8.88332 5.86526 8.01308 9.55996 12.8612 7.11065 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 9.27838 11.6378 15.434 4.67641 5.69391 9.55118 13.6019 5.4605 7.58875 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 9.27838 11.6378 15.434 4.67641 13.4212 9.10345 18.0706 10.8476 14.0067 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 8.91313 17.5889 13.3881 10.2475 4.3481 7.06939 12.4681 10.5758 12.7637 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 8.36431 10.9701 12.4284 8.16392 10.8304 5.90097 6.94695 4.3481 7.06939 12.4681 10.5758 11.1106 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 8.91313 13.3881 17.5889 10.2475 5.31547 9.36001 10.9241 13.3865 12.273 numMergedOcc 0
18 mol 92 unq 3 iso 0 dist 9.64443 9.33898 13.1316 8.36431 12.4284 10.9701 8.16392 5.90097 10.8304 6.94695 5.31547 9.36001 10.9241 13.3865 10.9647 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 6.58204 10.9608 5.01145 7.01812 5.80144 8.4128 10.0891 4.03277 8.91882 10.5432 10.259 6.59691 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 6.58204 10.9608 5.69137 7.01812 5.80144 10.0456 10.0891 4.03277 8.91882 11.5088 10.259 6.59691 numMergedOcc 0
21 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.30845 12.2861 5.80144 10.0891 5.9143 7.82475 11.9928 11.3652 13.9449 numMergedOcc 0
22 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.30845 12.2861 5.80144 10.0891 5.47563 5.35782 9.94341 12.1809 13.2383 numMergedOcc 0
23 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.76378 15.5385 12.3577 4.44538 5.9143 7.82475 11.9928 11.3652 10.8812 numMergedOcc 0
24 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 8.76378 15.5385 12.3577 4.44538 5.47563 5.35782 9.94341 12.1809 11.4348 numMergedOcc 0
25 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.30845 12.2861 10.0456 10.0891 5.9143 7.82475 10.694 11.3652 13.9449 numMergedOcc 0
26 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.30845 12.2861 10.0456 10.0891 5.47563 5.35782 9.82522 12.1809 13.2383 numMergedOcc 0
27 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.76378 15.5385 4.97045 4.44538 5.9143 7.82475 10.694 11.3652 10.8812 numMergedOcc 0
28 mol 100 unq 9 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 8.76378 15.5385 4.97045 4.44538 5.47563 5.35782 9.82522 12.1809 11.4348 numMergedOcc 0
29 mol 100 unq 10 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.30845 12.2861 6.70236 10.0891 5.9143 7.82475 14.966 11.3652 13.9449 numMergedOcc 0
30 mol 100 unq 11 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.30845 12.2861 6.70236 10.0891 5.47563 5.35782 13.4844 12.1809 13.2383 numMergedOcc 0
31 mol 100 unq 12 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.76378 15.5385 10.7791 4.44538 5.9143 7.82475 14.966 11.3652 10.8812 numMergedOcc 0
32 mol 100 unq 13 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 8.76378 15.5385 10.7791 4.44538 5.47563 5.35782 13.4844 12.1809 11.4348 numMergedOcc 0
33 mol 100 unq 14 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 8.30845 5.80144 12.2861 10.0891 6.23008 8.91882 9.76432 10.259 6.59691 numMergedOcc 0
34 mol 100 unq 15 iso 0 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 8.76378 12.3577 15.5385 4.44538 6.23008 8.91882 9.76432 10.259 13.2391 numMergedOcc 0
35 mol 100 unq 16 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 8.30845 5.80144 10.0456 10.0891 6.23008 8.91882 11.5088 10.259 6.59691 numMergedOcc 0
36 mol 100 unq 17 iso 0 dist 6.65086 6.56369 7.80879 7.75343 10.9608 5.69137 8.76378 12.3577 4.97045 4.44538 6.23008 8.91882 11.5088 10.259 13.2391 numMergedOcc 0
37 mol 100 unq 18 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 8.30845 5.80144 6.70236 10.0891 6.23008 8.91882 11.6812 10.259 6.59691 numMergedOcc 0
38 mol 100 unq 19 iso 0 dist 6.65086 9.30209 5.38414 7.75343 10.9608 9.21622 8.76378 12.3577 10.7791 4.44538 6.23008 8.91882 11.6812 10.259 13.2391 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 7.80532 9.87376 7.41674 14.1488 12.3479 9.33094 11.2896 11.7151 10.1824 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 8.90963 8.91338 9.81073 4.43678 12.9532 9.76212 13.2783 14.5897 17.8171 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 8.90963 8.91338 9.81073 6.03415 12.9532 9.76212 13.2783 12.3788 17.8171 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 6.94688 6.25083 6.80228 8.90963 8.91338 9.34211 4.43678 12.9532 9.76212 18.2853 14.5897 17.8171 numMergedOcc 0
43 mol 181 unq 3 iso 0 dist 9.1374 9.15386 12.1628 6.71012 4.77278 11.6919 8.90963 8.91338 9.34211 6.03415 12.9532 9.76212 18.2853 12.3788 17.8171 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 7.67576 7.75656 10.3151 7.39748 6.84862 5.56538 14.4477 11.8745 8.43195 numMergedOcc 0
45 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 7.67576 7.75656 10.3151 7.39748 9.53117 7.48954 16.3082 12.9858 8.23406 numMergedOcc 0
46 mol 222 unq 2 iso 0 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 9.82371 16.0949 8.52017 5.08928 6.84862 5.56538 14.4477 11.8745 14.0832 numMergedOcc 0
47 mol 222 unq 3 iso 0 dist 7.21333 8.01589 13.3522 6.82208 12.2813 4.8892 9.82371 16.0949 8.52017 5.08928 9.53117 7.48954 16.3082 12.9858 14.9425 numMergedOcc 0
48 mol 222 unq 4 iso 0 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 7.67576 7.75656 7.81022 7.39748 6.84862 5.56538 10.0233 11.8745 8.43195 numMergedOcc 0
49 mol 222 unq 5 iso 0 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 7.67576 7.75656 7.81022 7.39748 9.53117 7.48954 11.839 12.9858 8.23406 numMergedOcc 0
50 mol 222 unq 6 iso 0 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 9.82371 16.0949 15.7504 5.08928 6.84862 5.56538 10.0233 11.8745 14.0832 numMergedOcc 0
51 mol 222 unq 7 iso 0 dist 7.21333 7.7699 5.24516 6.82208 12.2813 11.0074 9.82371 16.0949 15.7504 5.08928 9.53117 7.48954 11.839 12.9858 14.9425 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 8.19953 10.7113 8.64911 9.51597 12.4692 4.98993 6.99977 5.13732 8.08349 11.2501 5.73591 10.7847 numMergedOcc 0
