0 mol 11 unq 0 iso 0 dist 6.89666 6.74026 6.54358 10.6838 6.86684 6.859 4.73237 4.61088 4.10106 5.96346 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 8.78181 6.08585 6.53269 5.8503 11.9561 13.6145 8.87757 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 13.591 9.48085 8.78181 6.08585 6.53269 13.466 7.57578 5.18617 8.50222 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.40051 13.591 9.48085 8.78181 6.08585 6.53269 14.4191 7.17969 5.68041 7.55264 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.6396 5.23233 6.55597 8.78181 5.77929 9.16515 5.8503 5.04899 4.69295 8.87757 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.6396 5.23233 6.55597 8.78181 5.77929 9.16515 13.466 12.7009 13.2447 8.50222 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.6396 5.23233 6.55597 8.78181 5.77929 9.16515 14.4191 12.8117 14.9982 7.55264 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 8.6396 10.4709 7.07751 8.78181 5.77929 9.82987 5.8503 5.04899 8.79309 8.87757 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 8.6396 10.4709 7.07751 8.78181 5.77929 9.82987 13.466 12.7009 11.8139 8.50222 numMergedOcc 0
9 mol 25 unq 8 iso 0 dist 8.6396 10.4709 7.07751 8.78181 5.77929 9.82987 14.4191 12.8117 14.1251 7.55264 numMergedOcc 0
10 mol 25 unq 9 iso 0 dist 8.6396 13.591 9.49421 8.78181 5.77929 6.53269 5.8503 5.04899 13.6145 8.87757 numMergedOcc 0
11 mol 25 unq 10 iso 0 dist 8.6396 13.591 9.49421 8.78181 5.77929 6.53269 13.466 12.7009 5.18617 8.50222 numMergedOcc 0
12 mol 25 unq 11 iso 0 dist 8.6396 13.591 9.49421 8.78181 5.77929 6.53269 14.4191 12.8117 5.68041 7.55264 numMergedOcc 0
13 mol 58 unq 0 iso 0 dist 6.36193 4.99692 9.22598 5.84625 9.95364 9.01564 5.40367 6.62496 9.87158 8.80614 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 4.88613 4.99692 8.96727 5.84625 5.49591 9.01564 5.40367 6.35756 9.87158 8.80614 numMergedOcc 0
15 mol 58 unq 2 iso 0 dist 4.88613 3.70586 8.01308 5.84625 5.49591 7.11065 5.40367 6.35756 5.86526 8.80614 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 6.18305 4.21749 8.68662 9.54477 6.56633 8.96616 4.69583 6.19304 6.20232 9.24757 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 6.18305 5.65986 7.4369 9.54477 6.56633 6.14542 4.69583 6.19304 5.70116 9.24757 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 9.34823 5.13589 8.67537 5.3154 6.18601 4.39676 6.73586 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 8.44385 5.92411 6.99446 9.34823 10.8661 8.67537 5.3154 10.1813 4.39676 6.73586 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 5.63005 5.92411 7.64052 9.34823 12.0175 8.67537 5.3154 9.72413 4.39676 6.73586 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 9.28278 9.05571 5.51197 12.7577 4.92472 6.34626 15.0994 10.1333 6.28232 7.58957 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 5.82404 11.5628 8.77023 6.72323 4.54648 8.83732 10.2385 6.29155 13.0405 6.16242 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 5.82404 11.5628 8.77023 6.72323 4.54648 8.83732 4.64588 6.80239 13.7612 5.87634 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 9.92932 3.76211 7.21868 12.1527 4.57832 9.0176 15.5033 11.9139 12.847 7.69991 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 9.92932 3.76211 7.21868 12.1527 4.57832 9.0176 10.5108 8.94367 8.06642 6.23142 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 9.92932 3.76211 7.21868 12.1527 4.57832 9.0176 6.20443 9.86662 4.00092 9.94764 numMergedOcc 0
27 mol 134 unq 3 iso 0 dist 9.60411 3.76211 7.93372 12.1527 5.29786 9.0176 15.5033 9.5126 12.847 7.69991 numMergedOcc 0
28 mol 134 unq 4 iso 0 dist 9.60411 3.76211 7.93372 12.1527 5.29786 9.0176 10.5108 6.37586 8.06642 6.23142 numMergedOcc 0
29 mol 134 unq 5 iso 0 dist 9.60411 3.76211 7.93372 12.1527 5.29786 9.0176 6.20443 9.71307 4.00092 9.94764 numMergedOcc 0
30 mol 134 unq 6 iso 0 dist 9.60369 4.63732 9.66543 11.9876 7.1797 9.0176 16.3074 13.8307 12.847 7.69991 numMergedOcc 0
31 mol 134 unq 7 iso 0 dist 9.60369 4.63732 9.66543 11.9876 7.1797 9.0176 11.9294 11.7385 8.06642 6.23142 numMergedOcc 0
32 mol 134 unq 8 iso 0 dist 9.60369 4.63732 9.66543 11.9876 7.1797 9.0176 6.36794 11.3835 4.00092 9.94764 numMergedOcc 0
33 mol 134 unq 9 iso 0 dist 9.55556 4.63732 7.21868 11.9876 4.57832 9.0176 16.3074 11.9139 12.847 7.69991 numMergedOcc 0
34 mol 134 unq 10 iso 0 dist 9.55556 4.63732 7.21868 11.9876 4.57832 9.0176 11.9294 8.94367 8.06642 6.23142 numMergedOcc 0
35 mol 134 unq 11 iso 0 dist 9.55556 4.63732 7.21868 11.9876 4.57832 9.0176 6.36794 9.86662 4.00092 9.94764 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 9.58911 17.3349 8.59874 13.2834 6.06566 7.35884 17.6006 10.9639 6.50233 6.46704 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 9.84952 7.19461 6.64173 13.401 5.63555 8.12266 12.9554 7.63312 10.6474 5.9176 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 9.84952 9.77747 9.01624 12.7332 7.20191 5.99437 4.3158 7.81386 5.71898 9.39829 numMergedOcc 0
39 mol 181 unq 3 iso 0 dist 9.84952 9.77747 9.01624 12.7332 7.20191 5.99437 12.9554 7.63312 5.93724 6.41453 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 9.84952 10.0615 9.55105 13.401 5.63555 9.43306 12.9554 7.63312 5.12833 5.9176 numMergedOcc 0
41 mol 181 unq 5 iso 0 dist 9.84952 10.0615 9.55105 12.7332 7.20191 8.4848 4.3158 7.81386 5.83796 9.39829 numMergedOcc 0
42 mol 181 unq 6 iso 0 dist 9.84952 10.0615 9.55105 12.7332 7.20191 8.4848 12.9554 7.63312 5.12833 6.41453 numMergedOcc 0
43 mol 181 unq 7 iso 0 dist 7.41378 4.76079 5.05973 9.46838 5.48529 5.99437 4.3226 9.81747 5.71898 9.39829 numMergedOcc 0
44 mol 181 unq 8 iso 0 dist 7.41378 4.76079 5.05973 9.46838 5.48529 5.99437 10.2384 9.11469 5.93724 6.41453 numMergedOcc 0
45 mol 222 unq 0 iso 0 dist 7.85877 4.91709 5.56538 5.89818 7.75656 8.43195 4.82768 7.21333 6.84862 7.67576 numMergedOcc 0
46 mol 222 unq 1 iso 0 dist 7.85877 5.96186 7.48954 5.89818 7.75656 8.23406 4.82768 7.21333 9.53117 7.67576 numMergedOcc 0
47 mol 229 unq 0 iso 0 dist 8.6537 3.72432 7.27993 9.38362 6.65022 9.37336 8.65216 8.22528 5.70473 8.66332 numMergedOcc 0
48 mol 229 unq 1 iso 0 dist 8.75374 3.72432 9.51168 9.38362 5.42069 9.37336 8.65216 11.3979 5.70473 8.66332 numMergedOcc 0
49 mol 229 unq 2 iso 0 dist 5.57702 3.72432 6.95201 9.38362 10.2411 9.37336 8.65216 11.7165 5.70473 8.66332 numMergedOcc 0
50 mol 234 unq 0 iso 0 dist 7.86368 9.8663 7.81215 14.6064 10.0059 7.77911 16.1672 10.3625 13.1872 7.32499 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 9.65265 18.3627 9.30212 18.4464 9.5468 7.77765 22.0089 12.3938 5.22914 7.46394 numMergedOcc 0
52 mol 274 unq 1 iso 0 dist 9.65265 18.3627 9.30212 18.4464 9.5468 7.77765 18.6665 10.7806 12.393 9.45514 numMergedOcc 0
53 mol 274 unq 2 iso 0 dist 9.65265 18.3627 9.30212 18.4464 9.5468 7.77765 23.5452 16.3286 16.5034 8.91672 numMergedOcc 0
54 mol 274 unq 3 iso 0 dist 9.65265 18.3627 9.30212 18.4464 9.5468 7.77765 22.8834 13.5896 10.2884 7.1729 numMergedOcc 0
55 mol 274 unq 4 iso 0 dist 9.65265 11.4981 6.4611 18.4464 9.5468 9.65868 22.0089 12.3938 14.7507 7.46394 numMergedOcc 0
56 mol 274 unq 5 iso 0 dist 9.65265 11.4981 6.4611 18.4464 9.5468 9.65868 18.6665 10.7806 8.87855 9.45514 numMergedOcc 0
57 mol 274 unq 6 iso 0 dist 9.65265 11.4981 6.4611 18.4464 9.5468 9.65868 23.5452 16.3286 12.5615 8.91672 numMergedOcc 0
58 mol 274 unq 7 iso 0 dist 9.65265 11.4981 6.4611 18.4464 9.5468 9.65868 22.8834 13.5896 13.0867 7.1729 numMergedOcc 0
59 mol 274 unq 8 iso 0 dist 9.65265 11.4981 6.4611 14.3742 6.70925 8.60027 21.5399 13.9359 16.9539 8.52587 numMergedOcc 0
60 mol 274 unq 9 iso 0 dist 9.65265 11.4981 6.4611 14.3742 6.70925 8.60027 18.6665 10.7806 8.87855 6.39866 numMergedOcc 0
