0 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 12.9201 13.1847 10.0132 6.09368 6.57331 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 6.93532 10.4366 5.01101 11.0298 5.94982 5.05803 6.92781 5.30082 6.42835 4.65873 8.43054 10.0132 6.09368 6.57331 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 8.91183 12.5088 6.19899 11.0194 11.4989 4.50066 5.68215 17.5858 17.6792 10.1229 10.512 6.6219 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 8.91183 12.5088 6.61696 11.0194 11.4989 5.11617 5.68215 17.5858 17.6792 11.3231 10.512 6.6219 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 14.8647 12.5088 6.61696 13.2433 11.4989 5.11617 5.68215 18.6847 17.6792 11.3231 10.512 6.6219 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 9.44691 13.4893 14.4081 17.9275 9.586 15.5296 19.2131 6.7828 7.27472 17.9455 20.5402 12.6707 3.73215 8.87744 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.38394 8.60554 12.3994 14.8647 17.9146 6.61696 13.2433 15.4364 5.11617 5.68215 18.6847 20.7191 11.3231 10.512 6.6219 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.38394 9.44691 12.505 14.4081 19.8965 9.586 15.5296 19.1123 6.7828 7.27472 17.9455 22.978 12.6707 3.73215 8.87744 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 5.54419 8.23446 13.1779 6.28159 10.4135 4.5711 7.36323 12.3067 6.38336 8.87744 5.50396 9.33482 4.44526 3.73215 7.27472 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 5.54419 8.23446 13.1779 5.50396 9.33482 4.44526 7.36323 12.3067 6.38336 7.27472 6.28159 10.4135 4.5711 3.73215 8.87744 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 5.54419 8.75662 10.8238 5.50396 9.33482 9.586 7.36323 12.3067 6.7828 7.27472 6.28159 10.4135 12.6707 3.73215 8.87744 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 7.36323 8.4051 13.2229 10.1698 17.003 6.61696 5.54419 12.3067 5.11617 5.68215 4.82629 11.0181 11.3231 10.512 6.6219 numMergedOcc 0
12 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 11.6045 12.3944 9.35791 12.7147 4.79873 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 7.57578 8.50222 6.08585 13.2447 11.037 9.16515 12.7009 10.9391 5.77929 6.55597 18.6183 16.4232 12.7995 6.53015 7.52933 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 7.57578 8.50222 6.08585 13.2447 11.037 9.16515 12.7009 10.9391 5.77929 6.55597 11.3512 14.581 11.5214 9.19736 9.71956 numMergedOcc 0
15 mol 25 unq 3 iso 0 dist 7.57578 8.50222 6.08585 13.2447 11.037 9.16515 12.7009 10.9391 5.77929 6.55597 11.8139 13.0315 9.82987 5.78812 7.07751 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 7.57578 8.50222 6.08585 13.2447 11.037 9.16515 12.7009 10.9391 5.77929 6.55597 17.5134 17.2964 13.3492 7.36721 8.23761 numMergedOcc 0
17 mol 25 unq 5 iso 0 dist 7.57578 8.50222 6.08585 13.2447 11.037 9.16515 12.7009 10.9391 5.77929 6.55597 5.18617 9.48085 6.53269 12.1732 9.49421 numMergedOcc 0
18 mol 25 unq 6 iso 0 dist 7.57578 8.50222 6.08585 11.8139 13.0315 9.82987 12.7009 10.9391 5.77929 7.07751 13.2447 11.037 9.16515 5.78812 6.55597 numMergedOcc 0
19 mol 25 unq 7 iso 0 dist 7.57578 8.50222 6.08585 11.8139 13.0315 9.82987 12.7009 10.9391 5.77929 7.07751 11.3512 14.581 11.5214 3.56099 9.71956 numMergedOcc 0
20 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 11.8139 13.0315 9.82987 12.7009 10.9391 5.77929 7.07751 18.6183 16.4232 12.7995 8.64476 7.52933 numMergedOcc 0
21 mol 25 unq 9 iso 0 dist 7.57578 8.50222 6.08585 11.8139 13.0315 9.82987 12.7009 10.9391 5.77929 7.07751 17.5134 17.2964 13.3492 5.99526 8.23761 numMergedOcc 0
22 mol 25 unq 10 iso 0 dist 7.57578 8.50222 6.08585 11.8139 13.0315 9.82987 12.7009 10.9391 5.77929 7.07751 5.18617 9.48085 6.53269 9.54872 9.49421 numMergedOcc 0
23 mol 25 unq 11 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.7009 10.9391 5.77929 9.49421 13.2447 11.037 9.16515 12.1732 6.55597 numMergedOcc 0
24 mol 25 unq 12 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.7009 10.9391 5.77929 9.49421 11.3512 14.581 11.5214 8.99147 9.71956 numMergedOcc 0
25 mol 25 unq 13 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.7009 10.9391 5.77929 9.49421 11.8139 13.0315 9.82987 9.54872 7.07751 numMergedOcc 0
26 mol 25 unq 14 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.7009 10.9391 5.77929 9.49421 17.5134 17.2964 13.3492 14.6175 8.23761 numMergedOcc 0
27 mol 25 unq 15 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 12.7009 10.9391 5.77929 9.49421 18.6183 16.4232 12.7995 16.0628 7.52933 numMergedOcc 0
28 mol 25 unq 16 iso 0 dist 7.17969 7.55264 6.08585 14.9982 11.037 9.16515 12.8117 10.9391 5.77929 6.55597 19.7151 16.4232 12.7995 6.53015 7.52933 numMergedOcc 0
29 mol 25 unq 17 iso 0 dist 7.17969 7.55264 6.08585 14.9982 11.037 9.16515 12.8117 10.9391 5.77929 6.55597 14.0853 14.581 11.5214 9.19736 9.71956 numMergedOcc 0
30 mol 25 unq 18 iso 0 dist 7.17969 7.55264 6.08585 14.9982 11.037 9.16515 12.8117 10.9391 5.77929 6.55597 14.1251 13.0315 9.82987 5.78812 7.07751 numMergedOcc 0
31 mol 25 unq 19 iso 0 dist 7.17969 7.55264 6.08585 14.9982 11.037 9.16515 12.8117 10.9391 5.77929 6.55597 19.2117 17.2964 13.3492 7.36721 8.23761 numMergedOcc 0
32 mol 25 unq 20 iso 0 dist 7.17969 7.55264 6.08585 14.9982 11.037 9.16515 12.8117 10.9391 5.77929 6.55597 5.68041 9.48085 6.53269 12.1732 9.49421 numMergedOcc 0
33 mol 25 unq 21 iso 0 dist 7.17969 7.55264 6.08585 14.1251 13.0315 9.82987 12.8117 10.9391 5.77929 7.07751 14.9982 11.037 9.16515 5.78812 6.55597 numMergedOcc 0
34 mol 25 unq 22 iso 0 dist 7.17969 7.55264 6.08585 14.1251 13.0315 9.82987 12.8117 10.9391 5.77929 7.07751 14.0853 14.581 11.5214 3.56099 9.71956 numMergedOcc 0
35 mol 25 unq 23 iso 0 dist 7.17969 7.55264 6.08585 14.1251 13.0315 9.82987 12.8117 10.9391 5.77929 7.07751 19.7151 16.4232 12.7995 8.64476 7.52933 numMergedOcc 0
36 mol 25 unq 24 iso 0 dist 7.17969 7.55264 6.08585 14.1251 13.0315 9.82987 12.8117 10.9391 5.77929 7.07751 19.2117 17.2964 13.3492 5.99526 8.23761 numMergedOcc 0
37 mol 25 unq 25 iso 0 dist 7.17969 7.55264 6.08585 14.1251 13.0315 9.82987 12.8117 10.9391 5.77929 7.07751 5.68041 9.48085 6.53269 9.54872 9.49421 numMergedOcc 0
38 mol 25 unq 26 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 12.8117 10.9391 5.77929 9.49421 14.9982 11.037 9.16515 12.1732 6.55597 numMergedOcc 0
39 mol 25 unq 27 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 12.8117 10.9391 5.77929 9.49421 14.0853 14.581 11.5214 8.99147 9.71956 numMergedOcc 0
40 mol 25 unq 28 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 12.8117 10.9391 5.77929 9.49421 14.1251 13.0315 9.82987 9.54872 7.07751 numMergedOcc 0
41 mol 25 unq 29 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 12.8117 10.9391 5.77929 9.49421 19.2117 17.2964 13.3492 14.6175 8.23761 numMergedOcc 0
42 mol 25 unq 30 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 12.8117 10.9391 5.77929 9.49421 19.7151 16.4232 12.7995 16.0628 7.52933 numMergedOcc 0
43 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 9.87158 13.3281 9.01564 6.35756 5.35073 5.49591 8.96727 5.86526 11.5155 7.11065 6.20884 8.01308 numMergedOcc 0
44 mol 58 unq 1 iso 0 dist 6.86465 8.80614 10.2049 5.86526 11.5155 7.11065 6.35756 5.35073 5.49591 8.01308 9.87158 13.3281 9.01564 6.20884 8.96727 numMergedOcc 0
45 mol 58 unq 2 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 6.35756 4.81926 5.49591 8.96727 5.86526 9.55996 7.11065 6.20884 8.01308 numMergedOcc 0
46 mol 58 unq 3 iso 0 dist 6.62496 8.80614 9.95364 5.86526 9.55996 7.11065 6.35756 4.81926 5.49591 8.01308 9.87158 9.22598 9.01564 6.20884 8.96727 numMergedOcc 0
47 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 5.69391 13.6019 7.58875 9.96708 10.7394 11.6378 9.55118 13.4212 18.0706 14.0067 9.20237 9.10345 numMergedOcc 0
48 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 6.20232 12.2276 8.96616 6.19304 5.4148 6.56633 8.68662 5.70116 9.73086 6.14542 3.30399 7.4369 numMergedOcc 0
49 mol 73 unq 1 iso 0 dist 9.96396 9.24757 5.11416 5.70116 9.73086 6.14542 6.19304 5.4148 6.56633 7.4369 6.20232 12.2276 8.96616 3.30399 8.68662 numMergedOcc 0
50 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 6.20232 13.8931 8.96616 6.19304 13.3558 6.56633 8.68662 5.70116 12.8207 6.14542 3.30399 7.4369 numMergedOcc 0
51 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 5.70116 12.8207 6.14542 6.19304 13.3558 6.56633 7.4369 6.20232 13.8931 8.96616 3.30399 8.68662 numMergedOcc 0
52 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 6.10456 8.40073 9.67482 7.54889 3.9764 5.10496 4.62494 6.70343 5.2571 numMergedOcc 0
53 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 10.4782 9.81956 8.46823 10.1136 10.2427 12.0974 7.78931 3.9764 5.10496 4.62494 6.70343 8.7497 numMergedOcc 0
54 mol 98 unq 2 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.48948 9.51923 7.42446 5.92242 7.03983 9.89095 9.84743 9.6331 7.02507 numMergedOcc 0
55 mol 98 unq 3 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 6.10456 8.40073 9.67482 5.2571 10.4782 9.81956 8.46823 6.70343 7.54889 numMergedOcc 0
56 mol 98 unq 4 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.1136 10.2427 12.0974 8.7497 10.4782 9.81956 8.46823 6.70343 7.78931 numMergedOcc 0
57 mol 98 unq 5 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 6.10456 9.42358 9.67482 7.54889 3.9764 5.92242 4.62494 6.70343 5.2571 numMergedOcc 0
58 mol 98 unq 6 iso 0 dist 6.48948 6.65501 7.42446 10.4782 10.8223 8.46823 10.1136 13.9786 12.0974 7.78931 3.9764 5.92242 4.62494 6.70343 8.7497 numMergedOcc 0
59 mol 98 unq 7 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 6.10456 9.42358 9.67482 5.2571 10.4782 10.8223 8.46823 6.70343 7.54889 numMergedOcc 0
60 mol 98 unq 8 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.1136 13.9786 12.0974 8.7497 10.4782 10.8223 8.46823 6.70343 7.78931 numMergedOcc 0
61 mol 98 unq 9 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 10.1136 5.02887 12.0974 7.78931 3.9764 5.2571 4.62494 6.70343 8.7497 numMergedOcc 0
62 mol 98 unq 10 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 6.48948 9.42358 7.42446 5.92242 7.03983 12.7417 9.84743 9.6331 7.02507 numMergedOcc 0
63 mol 98 unq 11 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.1136 5.02887 12.0974 8.7497 10.4782 7.54889 8.46823 6.70343 7.78931 numMergedOcc 0
64 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 9.81953 13.2137 10.3057 6.25463 9.90751 numMergedOcc 0
65 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 4.03277 10.5432 6.59691 10.1489 10.8586 5.42531 9.21662 9.81953 15.6594 10.3057 6.25463 9.90751 numMergedOcc 0
66 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 4.03277 11.5088 6.59691 10.1489 15.1999 5.42531 9.21662 9.81953 17.5792 10.3057 6.25463 9.90751 numMergedOcc 0
67 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 6.23008 9.76432 6.59691 13.2001 16.3949 5.42531 9.21662 12.0341 12.4084 10.3057 6.25463 9.90751 numMergedOcc 0
68 mol 100 unq 4 iso 0 dist 6.65086 8.30845 5.80144 6.23008 8.91882 6.59691 13.2001 10.8375 5.42531 9.21662 12.0341 13.2137 10.3057 6.25463 9.90751 numMergedOcc 0
69 mol 100 unq 5 iso 0 dist 6.56369 8.30845 10.0456 6.23008 11.5088 6.59691 13.2001 15.1999 5.42531 9.21662 12.0341 17.5792 10.3057 6.25463 9.90751 numMergedOcc 0
70 mol 100 unq 6 iso 0 dist 9.30209 8.30845 6.70236 6.23008 11.6812 6.59691 13.2001 11.2306 5.42531 9.21662 12.0341 16.5929 10.3057 6.25463 9.90751 numMergedOcc 0
71 mol 129 unq 0 iso 0 dist 9.61051 7.58957 5.68211 6.28232 11.3039 6.34626 10.1333 10.4792 4.92472 5.51197 10.6599 15.5799 10.0995 5.94312 6.69691 numMergedOcc 0
72 mol 129 unq 1 iso 0 dist 9.61051 7.58957 5.68211 6.28232 11.3039 6.34626 10.1333 10.4792 4.92472 5.51197 12.3705 16.2082 11.4468 9.74141 8.86944 numMergedOcc 0
73 mol 129 unq 2 iso 0 dist 5.83384 7.58957 10.5488 6.28232 11.7541 6.34626 10.1333 14.6152 4.92472 5.51197 10.6599 16.3058 10.0995 5.94312 6.69691 numMergedOcc 0
74 mol 129 unq 3 iso 0 dist 5.83384 7.58957 10.5488 6.28232 11.7541 6.34626 10.1333 14.6152 4.92472 5.51197 12.3705 17.1791 11.4468 9.74141 8.86944 numMergedOcc 0
75 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 9.5126 7.11631 5.29786 7.93372 9.45357 14.8469 12.2587 11.4107 9.33924 numMergedOcc 0
76 mol 134 unq 1 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 9.5126 5.00817 5.29786 7.93372 9.45357 9.55584 12.2587 11.4107 9.33924 numMergedOcc 0
77 mol 134 unq 2 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 6.37586 5.49782 5.29786 7.93372 6.95573 13.9752 12.2587 11.4107 9.33924 numMergedOcc 0
78 mol 134 unq 3 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 6.37586 5.00817 5.29786 7.93372 6.95573 9.55584 12.2587 11.4107 9.33924 numMergedOcc 0
79 mol 134 unq 4 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 9.71307 5.49782 5.29786 7.93372 10.2026 13.9752 12.2587 11.4107 9.33924 numMergedOcc 0
80 mol 222 unq 0 iso 0 dist 8.01589 7.67576 10.3151 6.84862 14.4477 8.43195 7.21333 13.3522 7.75656 5.56538 9.53117 16.3082 8.23406 3.58181 7.48954 numMergedOcc 0
81 mol 222 unq 1 iso 0 dist 8.01589 7.67576 10.3151 9.53117 16.3082 8.23406 7.21333 13.3522 7.75656 7.48954 6.84862 14.4477 8.43195 3.58181 5.56538 numMergedOcc 0
82 mol 222 unq 2 iso 0 dist 7.7699 7.67576 7.81022 6.84862 10.0233 8.43195 7.21333 5.24516 7.75656 5.56538 9.53117 11.839 8.23406 3.58181 7.48954 numMergedOcc 0
83 mol 222 unq 3 iso 0 dist 7.7699 7.67576 7.81022 9.53117 11.839 8.23406 7.21333 5.24516 7.75656 7.48954 6.84862 10.0233 8.43195 3.58181 5.56538 numMergedOcc 0
84 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 16.9539 12.8334 8.60027 13.9359 9.15171 6.70925 6.4611 11.4471 11.9912 10.0206 13.5848 9.30212 numMergedOcc 0
