0 mol 0 unq 0 iso 0 dist 9.19007 6.0225 6.94943 7.65806 9.64573 9.72725 10.5603 4.62412 5.88757 10.5877 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.19007 6.0225 6.94943 7.65806 9.64573 9.72725 10.4406 5.96303 8.66548 14.2251 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 8.26708 6.27888 7.27254 12.8272 12.7486 6.86701 11.9816 8.78328 5.96833 5.11735 numMergedOcc 0
3 mol 1 unq 1 iso 0 dist 6.09918 4.50502 7.27254 10.488 12.7486 6.86701 8.56884 8.78328 5.96833 5.11735 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.78006 5.84314 7.05919 8.57077 3.98483 5.8245 6.85412 7.98363 9.71516 8.27962 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 9.78006 5.84314 7.05919 8.57077 3.98483 5.8245 6.33889 10.4204 9.81658 11.4878 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 10.2542 5.30734 9.12845 13.2086 14.3325 9.06516 14.1424 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 8.44506 7.11305 6.38243 10.2542 5.30734 9.12845 6.73162 8.13684 9.96121 6.10146 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.27383 4.00553 6.87028 10.3988 7.40296 9.97769 10.5905 5.36808 8.13051 10.3598 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.27383 4.00553 6.87028 11.221 5.89202 9.32706 10.5905 5.36808 8.13051 6.00578 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.27383 4.00553 6.87028 6.64012 6.37648 9.08221 10.5905 5.36808 8.13051 11.6697 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 6.61823 4.3481 6.9223 9.33898 6.08245 7.06939 11.9364 7.24263 9.39807 6.61299 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 6.49956 4.3481 7.0561 9.33898 6.86728 7.06939 11.9364 12.5937 9.39807 6.61299 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 5.08437 7.32662 5.10496 10.417 13.6622 6.61111 8.70415 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 7.26086 3.9764 8.75597 6.48948 13.4985 5.92242 10.417 13.6622 6.61111 9.74284 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 7.26086 3.9764 8.75597 6.10456 6.934 5.2571 10.417 13.6622 6.61111 10.0962 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 7.26086 3.9764 8.75597 10.1136 7.17433 8.7497 10.417 13.6622 6.61111 11.2452 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 6.43433 6.75738 7.44041 11.8312 12.6695 9.05166 11.6045 9.06991 8.91262 6.35364 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 9.92283 5.43385 7.44041 11.438 12.6695 9.05166 13.0457 9.06991 8.91262 6.35364 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 7.77116 9.68677 9.57341 16.4353 13.52 8.95212 14.0269 11.1324 6.13374 10.3457 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 16.4353 13.52 8.95212 9.63176 8.96522 9.08536 16.7975 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 7.77116 9.68677 9.57341 10.3704 4.99056 6.99446 14.0269 11.1324 6.13374 6.35763 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 7.77116 9.68677 9.57341 10.3704 4.99056 6.99446 9.63176 8.96522 9.08536 7.36192 numMergedOcc 0
23 mol 119 unq 4 iso 0 dist 7.77116 9.68677 9.57341 8.73993 3.78311 7.64052 14.0269 11.1324 6.13374 10.0197 numMergedOcc 0
24 mol 119 unq 5 iso 0 dist 7.77116 9.68677 9.57341 8.73993 3.78311 7.64052 9.63176 8.96522 9.08536 10.6679 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 12.9594 6.02179 5.35237 20.301 13.6926 6.57379 8.96357 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 7.36779 14.2036 8.48313 18.1911 10.9332 7.99477 20.301 13.6926 6.57379 5.9915 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.36779 10.092 6.99345 13.9286 11.7434 6.42772 11.425 8.05714 6.44575 5.31077 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.36779 10.092 6.99345 11.3835 5.12325 9.1998 11.425 8.05714 6.44575 6.74887 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 7.36779 10.092 6.99345 12.9594 6.02179 8.70621 11.425 8.05714 6.44575 10.9715 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 7.36779 4.46337 5.11043 11.7385 9.4027 9.33094 11.425 8.05714 7.43401 5.3585 numMergedOcc 0
31 mol 134 unq 6 iso 0 dist 7.36779 4.46337 5.11043 11.3835 5.12325 8.69531 11.425 8.05714 7.43401 6.74887 numMergedOcc 0
32 mol 134 unq 7 iso 0 dist 8.20836 16.4114 8.48313 14.0375 6.02179 5.35237 21.5049 13.6926 6.57379 8.96357 numMergedOcc 0
33 mol 134 unq 8 iso 0 dist 8.20836 16.4114 8.48313 17.9288 10.9332 7.99477 21.5049 13.6926 6.57379 5.9915 numMergedOcc 0
34 mol 134 unq 9 iso 0 dist 8.20836 12.8086 6.99345 15.281 11.7434 6.42772 11.2292 8.05714 6.44575 5.31077 numMergedOcc 0
35 mol 134 unq 10 iso 0 dist 8.20836 12.8086 6.99345 9.86662 5.12325 9.1998 11.2292 8.05714 6.44575 6.74887 numMergedOcc 0
36 mol 134 unq 11 iso 0 dist 8.20836 12.8086 6.99345 14.0375 6.02179 8.70621 11.2292 8.05714 6.44575 10.9715 numMergedOcc 0
37 mol 134 unq 12 iso 0 dist 8.20836 7.41373 5.11043 8.94367 9.4027 9.33094 11.2292 8.05714 7.43401 5.3585 numMergedOcc 0
38 mol 134 unq 13 iso 0 dist 8.20836 7.41373 5.11043 9.86662 5.12325 8.69531 11.2292 8.05714 7.43401 6.74887 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 8.37597 5.13732 8.54702 6.61986 4.59567 8.08349 8.19953 8.5129 5.73591 10.7113 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 8.37597 5.13732 8.54702 6.61986 4.59567 8.08349 11.5717 7.96876 8.55345 11.4491 numMergedOcc 0
41 mol 224 unq 2 iso 0 dist 8.37597 5.13732 8.54702 13.4025 9.48743 9.78218 8.19953 8.5129 5.73591 11.4252 numMergedOcc 0
42 mol 224 unq 3 iso 0 dist 8.37597 5.13732 8.54702 13.4025 9.48743 9.78218 11.5717 7.96876 8.55345 9.14568 numMergedOcc 0
43 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 22.4468 16.6392 8.1945 12.2336 8.99405 8.91356 10.7506 numMergedOcc 0
44 mol 225 unq 1 iso 0 dist 8.87609 17.3148 9.87668 22.4468 16.6392 8.1945 26.2681 18.6744 9.59574 7.12954 numMergedOcc 0
45 mol 225 unq 2 iso 0 dist 8.87609 17.3148 9.87668 13.3684 4.76151 6.50998 12.2336 8.99405 8.91356 8.69249 numMergedOcc 0
46 mol 225 unq 3 iso 0 dist 8.87609 17.3148 9.87668 13.3684 4.76151 6.50998 26.2681 18.6744 9.59574 14.2819 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 5.52379 4.48415 6.53286 11.5794 11.0349 9.12776 9.10743 5.88491 9.84652 8.82861 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 5.52379 4.48415 6.53286 12.2442 10.7551 9.72188 9.10743 5.88491 9.84652 15.5674 numMergedOcc 0
