0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 12.8323 9.87885 14.8356 12.2333 13.2247 12.4827 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.68596 14.7759 6.88805 5.99459 10.3333 10.5461 12.2041 6.34041 9.67164 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 8.72114 13.8829 7.12508 6.1206 11.2901 10.5461 13.2247 5.03847 9.87885 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 4.7319 6.72833 6.51133 6.86055 7.65889 5.94982 11.0958 10.2656 5.30082 6.42835 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.05803 6.93532 5.30082 5.01101 6.42835 5.94982 11.6856 10.2656 6.51133 7.65889 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 5.05803 6.93532 5.30082 4.65873 6.57331 10.0132 6.31718 6.92781 10.4366 8.43054 numMergedOcc 0
6 mol 16 unq 3 iso 0 dist 6.31718 6.93532 10.4366 4.65873 8.43054 10.0132 5.05803 6.92781 5.30082 6.57331 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 11.9561 10.9391 6.08585 9.48085 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.7009 10.9391 5.77929 9.49421 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 12.8117 10.9391 5.77929 9.49421 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.80331 8.95682 6.18002 5.41726 6.6263 10.3764 6.20293 8.13395 8.38399 6.75943 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 6.20293 8.95682 8.38399 5.41726 6.75943 10.3764 8.80331 8.13395 6.18002 6.6263 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.81627 7.21955 7.09066 5.61579 5.38524 10.4354 11.715 5.79773 10.7169 8.66539 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 6.81627 7.21955 7.09066 5.61579 5.38524 10.4354 7.32874 5.47421 7.12541 8.69057 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 7.32874 7.21955 7.12541 5.61579 8.69057 10.4354 11.715 10.8779 10.7169 8.66539 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 7.32874 7.21955 7.12541 5.61579 8.69057 10.4354 6.81627 5.47421 7.09066 5.38524 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 6.35756 4.81926 5.49591 8.96727 numMergedOcc 0
17 mol 58 unq 5 iso 0 dist 6.35756 8.80614 5.49591 9.87158 8.96727 9.01564 6.62496 4.81926 9.95364 9.22598 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 5.70116 9.73086 6.14542 6.19304 5.4148 6.56633 7.4369 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 5.70116 7.4369 6.14542 9.96396 5.4148 5.11416 9.73086 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 11.2069 5.5087 14.6027 16.0098 8.07446 20.0091 5.61588 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 10.6713 6.08682 13.8591 16.0098 8.07446 20.0091 7.83244 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.48948 9.51923 7.42446 5.92242 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.10456 8.40073 9.67482 5.2571 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.1136 10.2427 12.0974 8.7497 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 5.08437 9.51923 4.4057 5.10496 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 6.10456 9.42358 9.67482 5.2571 numMergedOcc 0
27 mol 98 unq 5 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.1136 13.9786 12.0974 8.7497 numMergedOcc 0
28 mol 98 unq 6 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 17.4071 13.659 16.4267 9.64383 numMergedOcc 0
29 mol 98 unq 7 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 10.1136 5.02887 12.0974 7.78931 numMergedOcc 0
30 mol 98 unq 8 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 5.08437 8.40073 4.4057 5.10496 numMergedOcc 0
31 mol 98 unq 9 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 6.48948 9.42358 7.42446 5.92242 numMergedOcc 0
32 mol 98 unq 10 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.1136 5.02887 12.0974 8.7497 numMergedOcc 0
33 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 4.03277 8.91882 6.59691 10.1489 10.8375 5.42531 9.21662 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 6.65086 8.30845 5.80144 6.23008 8.91882 6.59691 13.2001 10.8375 5.42531 9.21662 numMergedOcc 0
35 mol 100 unq 2 iso 0 dist 6.65086 8.76378 12.3577 6.23008 8.91882 13.2391 13.2001 10.8375 17.9629 9.21662 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 8.69985 7.80523 7.74599 5.00433 8.52024 7.56755 13.1098 7.15843 10.0688 9.89083 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 10.1813 10.9871 10.8661 6.99446 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 9.72413 9.93257 12.0175 7.64052 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 11.7385 5.62899 7.1797 9.66543 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 6.37586 5.49782 5.29786 7.93372 numMergedOcc 0
41 mol 134 unq 2 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 11.7385 10.7144 7.1797 9.66543 numMergedOcc 0
42 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 8.94367 5.49782 4.57832 7.21868 numMergedOcc 0
43 mol 134 unq 4 iso 0 dist 6.49416 7.80532 9.87376 12.3479 9.33094 10.1824 12.5075 6.81259 14.9876 8.69531 numMergedOcc 0
44 mol 134 unq 5 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 11.3835 5.62899 7.1797 9.66543 numMergedOcc 0
45 mol 134 unq 6 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 9.71307 5.49782 5.29786 7.93372 numMergedOcc 0
46 mol 134 unq 7 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 11.3835 10.7144 7.1797 9.66543 numMergedOcc 0
47 mol 134 unq 8 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 9.86662 5.49782 4.57832 7.21868 numMergedOcc 0
48 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 4.78249 9.51256 6.47164 12.8281 8.56034 9.275 9.08274 numMergedOcc 0
49 mol 170 unq 1 iso 0 dist 9.76807 7.51126 5.75144 4.78249 9.51256 9.65126 12.8281 8.56034 12.5696 9.08274 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 9.1374 8.90963 8.91338 12.9532 9.76212 17.8171 9.94371 6.01247 11.85 8.59874 numMergedOcc 0
51 mol 181 unq 1 iso 0 dist 8.03334 6.46704 4.43096 6.50233 9.76212 7.35884 10.9639 6.01247 6.06566 8.59874 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 8.03334 6.59025 8.04639 6.50233 9.76212 11.6588 10.9639 6.01247 13.0409 8.59874 numMergedOcc 0
53 mol 181 unq 3 iso 0 dist 7.81386 9.39829 7.20191 5.71898 9.01624 5.99437 9.81747 11.5866 5.48529 5.05973 numMergedOcc 0
54 mol 181 unq 4 iso 0 dist 7.63312 5.9176 5.63555 5.93724 9.01624 10.5303 9.11469 11.5866 13.8719 5.05973 numMergedOcc 0
55 mol 181 unq 5 iso 0 dist 7.63312 6.41453 7.20191 5.93724 9.01624 5.99437 9.11469 11.5866 5.48529 5.05973 numMergedOcc 0
56 mol 192 unq 0 iso 0 dist 5.59424 8.77999 8.49529 6.35474 5.64942 13.3256 7.00794 5.76246 11.7523 6.97962 numMergedOcc 0
57 mol 192 unq 1 iso 0 dist 5.59424 8.77999 8.49529 5.25965 7.43054 13.7172 7.00794 5.76246 11.7523 6.79229 numMergedOcc 0
58 mol 192 unq 2 iso 0 dist 7.00794 8.77999 11.7523 6.35474 6.97962 13.3256 5.59424 5.76246 8.49529 5.64942 numMergedOcc 0
59 mol 192 unq 3 iso 0 dist 7.00794 8.77999 11.7523 5.25965 6.79229 13.7172 5.59424 5.76246 8.49529 7.43054 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 6.61986 9.51597 12.4692 5.13732 8.08349 10.7847 13.4025 10.3613 17.1299 9.78218 numMergedOcc 0
61 mol 227 unq 0 iso 0 dist 7.22101 7.43071 6.35849 5.0317 5.23634 9.18728 8.65997 5.22356 10.204 6.91318 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 7.22101 5.41321 10.9607 5.0317 5.23634 8.91971 8.65997 5.22356 9.72615 6.91318 numMergedOcc 0
63 mol 227 unq 2 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 7.22101 5.22356 6.35849 5.23634 numMergedOcc 0
64 mol 227 unq 3 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 7.22101 5.22356 10.9607 5.23634 numMergedOcc 0
65 mol 227 unq 4 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 10.8157 5.22356 10.204 6.91318 numMergedOcc 0
66 mol 229 unq 0 iso 0 dist 8.22528 8.66332 6.65022 5.70473 7.27993 9.37336 11.3979 5.1556 5.42069 9.51168 numMergedOcc 0
67 mol 229 unq 1 iso 0 dist 8.22528 8.66332 6.65022 5.70473 7.27993 9.37336 11.7165 7.0298 10.2411 6.95201 numMergedOcc 0
68 mol 239 unq 0 iso 0 dist 6.16342 8.84636 4.30299 10.6736 6.73665 10.0627 16.5158 11.347 11.1865 9.34438 numMergedOcc 0
69 mol 239 unq 1 iso 0 dist 6.16342 8.84636 4.30299 10.6736 6.73665 10.0627 13.7154 7.97994 7.7195 9.35949 numMergedOcc 0
70 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 8.8603 9.07743 14.6679 7.88519 4.69778 8.81835 7.66153 numMergedOcc 0
71 mol 259 unq 1 iso 0 dist 7.88519 7.98231 8.81835 8.8603 7.66153 14.6679 8.13497 4.69778 8.41846 9.07743 numMergedOcc 0
72 mol 259 unq 2 iso 0 dist 7.46176 7.08526 8.81835 11.8896 7.66153 14.6679 10.3935 4.69778 8.41846 9.07743 numMergedOcc 0
