0 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 12.2041 10.5461 9.67164 10.3148 5.03847 5.5683 8.72114 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.67164 13.156 12.2041 12.2333 5.99459 11.2662 12.4827 6.12483 5.99972 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 6.1206 7.12508 13.2247 10.5461 9.87885 12.9581 6.34041 10.1841 9.68596 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.62879 9.01112 7.12261 10.9495 10.9634 6.56356 7.18019 4.36226 4.1204 7.03958 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 9.62879 9.01112 7.12261 6.23795 12.4058 7.62333 7.18019 4.36226 4.1204 8.44009 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 7.45383 7.33728 9.62058 6.16347 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 16.8925 19.1927 10.2758 7.92503 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 6.16347 9.34396 9.62058 7.45383 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 13.8469 10.5328 5.38592 9.01548 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 6.16347 10.8498 9.62058 7.45383 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 13.8469 10.4337 5.38592 9.01548 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.62496 9.22598 9.87158 4.81926 6.35756 8.96727 5.93884 5.78774 5.66912 7.68678 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.35756 8.96727 9.87158 4.81926 6.62496 9.22598 7.68678 5.78774 5.66912 5.93884 numMergedOcc 0
13 mol 60 unq 0 iso 0 dist 6.65595 7.57295 7.80499 5.67502 11.1899 8.4312 10.1323 12.5049 5.85676 9.90939 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 8.90863 7.48086 7.80499 5.00018 11.1899 8.4312 11.6165 12.5049 5.85676 9.90939 numMergedOcc 0
15 mol 60 unq 2 iso 0 dist 9.25011 7.57295 5.6397 5.67502 12.4656 8.4312 10.1323 10.5035 5.85676 9.90939 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 6.43294 7.57295 8.62476 5.67502 8.7531 8.4312 10.1323 7.04075 5.85676 9.90939 numMergedOcc 0
17 mol 60 unq 4 iso 0 dist 8.52121 7.57295 6.55502 5.67502 11.6311 8.4312 10.1323 6.10837 5.85676 9.90939 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 9.78528 6.21799 7.47371 8.24309 9.96708 7.12321 16.0048 11.6378 14.005 9.27838 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.70481 5.5087 11.2069 8.07446 16.0098 5.61588 12.4089 19.1381 8.26195 6.02816 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 8.70481 6.08682 10.6713 8.07446 16.0098 7.83244 12.4089 19.1381 12.382 6.02816 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 6.7117 7.06961 3.94967 4.47349 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 6.7117 7.06961 3.94967 5.65185 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 9.42961 7.06961 3.94967 6.7117 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 9.42961 7.06961 3.94967 4.47349 numMergedOcc 0
25 mol 98 unq 4 iso 0 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 9.42961 7.06961 3.94967 5.65185 numMergedOcc 0
26 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 13.659 17.4071 9.64383 18.2503 22.6249 12.82 7.23884 numMergedOcc 0
27 mol 98 unq 6 iso 0 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 4.47349 7.06961 3.92737 5.65185 numMergedOcc 0
28 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 4.47349 7.06961 3.94967 6.7117 numMergedOcc 0
29 mol 98 unq 8 iso 0 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 4.47349 7.06961 3.94967 5.65185 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 9.60661 8.91882 4.03277 10.8375 10.1489 9.21662 14.8081 10.6848 12.48 7.80975 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 6.65086 8.91882 6.23008 10.8375 13.2001 9.21662 14.8081 15.3454 12.48 7.80975 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 9.93257 16.4353 8.95212 9.77873 15.0404 12.3661 8.00003 numMergedOcc 0
33 mol 119 unq 1 iso 0 dist 8.73993 7.64052 9.68677 4.85907 10.3704 6.99446 6.52773 7.20179 5.37917 9.11344 numMergedOcc 0
34 mol 119 unq 2 iso 0 dist 9.87172 6.99446 6.20019 10.9871 13.9919 8.95212 13.7362 18.5424 12.3661 8.00003 numMergedOcc 0
35 mol 119 unq 3 iso 0 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 9.11344 10.9441 5.37917 6.52773 numMergedOcc 0
36 mol 119 unq 4 iso 0 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 12.7677 20.1288 15.7711 9.23858 numMergedOcc 0
37 mol 119 unq 5 iso 0 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 9.87889 6.42402 5.37917 9.11344 numMergedOcc 0
38 mol 119 unq 6 iso 0 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 9.87889 6.42402 5.37917 6.52773 numMergedOcc 0
39 mol 119 unq 7 iso 0 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 18.192 17.9302 15.7711 9.23858 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 6.82262 9.05342 4.88025 5.61668 8.22656 8.26547 12.4749 10.6025 8.88402 7.71248 numMergedOcc 0
41 mol 134 unq 0 iso 0 dist 8.94367 9.33094 7.41373 6.81259 9.86662 8.69531 6.23142 4.57832 6.93712 9.94764 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 6.37586 9.33094 10.8635 6.81259 9.71307 8.69531 6.23142 5.29786 6.93712 9.94764 numMergedOcc 0
43 mol 134 unq 2 iso 0 dist 6.49416 9.33094 12.3479 6.81259 12.5075 8.69531 6.23142 5.71679 6.93712 9.94764 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 9.86662 8.69531 7.41373 6.81259 8.94367 9.33094 9.94764 4.57832 6.93712 6.23142 numMergedOcc 0
45 mol 134 unq 4 iso 0 dist 9.71307 8.69531 10.8635 6.81259 6.37586 9.33094 9.94764 5.29786 6.93712 6.23142 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 9.1374 9.76212 12.9532 6.01247 9.94371 8.59874 6.2479 6.6251 6.39406 6.22122 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 8.03334 9.76212 6.50233 6.01247 10.9639 8.59874 6.2479 7.81713 6.39406 6.22122 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 6.22714 9.08509 12.7938 10.1813 11.0896 6.99888 14.7484 17.2411 6.65214 7.10685 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 15.7907 19.5656 9.72188 21.6822 25.6246 17.1065 9.24557 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 7.31233 9.08509 11.0772 10.1813 11.5794 6.99888 14.7484 16.0971 6.65214 7.10685 numMergedOcc 0
51 mol 259 unq 0 iso 0 dist 8.13497 9.46361 12.2293 6.96053 10.3935 6.95511 7.98231 8.41846 4.10176 7.08526 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 7.88519 9.46361 11.6988 6.96053 7.46176 6.95511 7.98231 8.81835 4.10176 7.08526 numMergedOcc 0
53 mol 259 unq 2 iso 0 dist 7.46176 6.95511 11.6988 6.96053 7.88519 9.46361 7.08526 8.81835 4.10176 7.98231 numMergedOcc 0
54 mol 259 unq 3 iso 0 dist 5.30224 6.9899 7.09907 9.98105 11.858 5.85442 10.4552 8.75685 4.47425 7.08526 numMergedOcc 0
