0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 5.01101 6.42835 11.0298 5.94982 4.65873 6.57331 8.43054 10.0132 6.09368 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 4.65873 6.57331 8.43054 10.0132 5.01101 6.42835 11.0298 5.94982 6.09368 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 11.6226 8.09311 16.0162 19.932 13.1949 9.05357 16.8554 17.7407 9.95274 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 13.1949 9.05357 16.8554 17.7407 11.6226 8.09311 16.0162 19.932 9.95274 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 4.82629 6.6219 11.0181 11.3231 10.1698 5.68215 17.003 6.61696 10.512 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 10.1698 5.68215 17.003 6.61696 4.82629 6.6219 11.0181 11.3231 10.512 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 4.82629 6.6219 11.0181 11.3777 10.1698 5.68215 17.003 16.1924 10.512 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 10.1698 5.68215 17.003 16.1924 4.82629 6.6219 11.0181 11.3777 10.512 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 4.82629 6.6219 11.0181 13.0711 10.1698 5.68215 17.003 15.3807 10.512 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 10.1698 5.68215 17.003 15.3807 4.82629 6.6219 11.0181 13.0711 10.512 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 6.28159 8.87744 10.4135 12.3034 5.50396 7.27472 9.33482 9.84204 3.73215 numMergedOcc 0
11 mol 24 unq 4 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 5.50396 7.27472 9.33482 9.84204 6.28159 8.87744 10.4135 12.3034 3.73215 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 6.28159 8.87744 10.4135 4.5711 5.50396 7.27472 9.33482 4.44526 3.73215 numMergedOcc 0
13 mol 24 unq 5 iso 1 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.50396 7.27472 9.33482 4.44526 6.28159 8.87744 10.4135 4.5711 3.73215 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 6.28159 8.87744 10.4135 12.6707 5.50396 7.27472 9.33482 9.586 3.73215 numMergedOcc 0
15 mol 24 unq 6 iso 1 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 5.50396 7.27472 9.33482 9.586 6.28159 8.87744 10.4135 12.6707 3.73215 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 9.87158 8.96727 13.3281 9.01564 5.86526 8.01308 11.5155 7.11065 6.20884 numMergedOcc 0
17 mol 58 unq 0 iso 1 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.86526 8.01308 11.5155 7.11065 9.87158 8.96727 13.3281 9.01564 6.20884 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 9.87158 8.96727 9.22598 9.01564 5.86526 8.01308 9.55996 7.11065 6.20884 numMergedOcc 0
19 mol 58 unq 1 iso 1 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.86526 8.01308 9.55996 7.11065 9.87158 8.96727 9.22598 9.01564 6.20884 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 5.69391 9.55118 13.6019 7.58875 13.4212 9.10345 18.0706 14.0067 9.20237 numMergedOcc 0
21 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 13.4212 9.10345 18.0706 14.0067 5.69391 9.55118 13.6019 7.58875 9.20237 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 6.20232 8.68662 12.2276 8.96616 5.70116 7.4369 9.73086 6.14542 3.30399 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 5.70116 7.4369 9.73086 6.14542 6.20232 8.68662 12.2276 8.96616 3.30399 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 6.20232 8.68662 13.8931 8.96616 5.70116 7.4369 12.8207 6.14542 3.30399 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 5.70116 7.4369 12.8207 6.14542 6.20232 8.68662 13.8931 8.96616 3.30399 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 11.2069 5.5087 13.3207 14.6027 10.6713 6.08682 14.498 13.8591 5.30471 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 10.6713 6.08682 14.498 13.8591 11.2069 5.5087 13.3207 14.6027 5.30471 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 11.2069 5.5087 13.8368 14.6027 10.6713 6.08682 14.5999 13.8591 5.30471 numMergedOcc 0
29 mol 73 unq 3 iso 1 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 10.6713 6.08682 14.5999 13.8591 11.2069 5.5087 13.8368 14.6027 5.30471 numMergedOcc 0
30 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 11.3215 9.3948 19.7448 16.0499 5.06946 9.74607 11.97 12.4483 8.00584 numMergedOcc 0
31 mol 95 unq 0 iso 1 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 5.06946 9.74607 11.97 12.4483 11.3215 9.3948 19.7448 16.0499 8.00584 numMergedOcc 0
32 mol 95 unq 1 iso 0 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 11.3215 9.3948 19.9408 16.0499 5.06946 9.74607 13.5721 12.4483 8.00584 numMergedOcc 0
33 mol 95 unq 1 iso 1 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 5.06946 9.74607 13.5721 12.4483 11.3215 9.3948 19.9408 16.0499 8.00584 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 3.9764 5.92242 5.10496 4.62494 7.03983 7.02507 9.89095 9.84743 9.6331 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 7.03983 7.02507 9.89095 9.84743 3.9764 5.92242 5.10496 4.62494 9.6331 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 3.9764 5.92242 5.2571 4.62494 7.03983 7.02507 12.7417 9.84743 9.6331 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 7.03983 7.02507 12.7417 9.84743 3.9764 5.92242 5.2571 4.62494 9.6331 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 10.4782 7.54889 9.81956 8.46823 3.9764 5.2571 5.10496 4.62494 6.70343 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 3.9764 5.2571 5.10496 4.62494 10.4782 7.54889 9.81956 8.46823 6.70343 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 10.4782 7.54889 10.8223 8.46823 3.9764 5.2571 5.92242 4.62494 6.70343 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 3.9764 5.2571 5.92242 4.62494 10.4782 7.54889 10.8223 8.46823 6.70343 numMergedOcc 0
42 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.9143 7.82475 11.9928 13.9449 5.47563 5.35782 9.94341 13.2383 3.5565 numMergedOcc 0
43 mol 100 unq 0 iso 1 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.47563 5.35782 9.94341 13.2383 5.9143 7.82475 11.9928 13.9449 3.5565 numMergedOcc 0
44 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 5.9143 7.82475 11.9928 10.8812 5.47563 5.35782 9.94341 11.4348 3.5565 numMergedOcc 0
45 mol 100 unq 1 iso 1 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 5.47563 5.35782 9.94341 11.4348 5.9143 7.82475 11.9928 10.8812 3.5565 numMergedOcc 0
46 mol 100 unq 2 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.9143 7.82475 10.694 13.9449 5.47563 5.35782 9.82522 13.2383 3.5565 numMergedOcc 0
47 mol 100 unq 2 iso 1 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.47563 5.35782 9.82522 13.2383 5.9143 7.82475 10.694 13.9449 3.5565 numMergedOcc 0
48 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 5.9143 7.82475 10.694 10.8812 5.47563 5.35782 9.82522 11.4348 3.5565 numMergedOcc 0
49 mol 100 unq 3 iso 1 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 5.47563 5.35782 9.82522 11.4348 5.9143 7.82475 10.694 10.8812 3.5565 numMergedOcc 0
50 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.9143 7.82475 14.966 13.9449 5.47563 5.35782 13.4844 13.2383 3.5565 numMergedOcc 0
51 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.47563 5.35782 13.4844 13.2383 5.9143 7.82475 14.966 13.9449 3.5565 numMergedOcc 0
52 mol 100 unq 5 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 5.9143 7.82475 14.966 10.8812 5.47563 5.35782 13.4844 11.4348 3.5565 numMergedOcc 0
53 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 5.47563 5.35782 13.4844 11.4348 5.9143 7.82475 14.966 10.8812 3.5565 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 6.95573 9.33924 13.9752 12.2587 8.06642 7.93372 7.21868 9.0176 11.4107 numMergedOcc 0
55 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 8.06642 7.93372 7.21868 9.0176 6.95573 9.33924 13.9752 12.2587 11.4107 numMergedOcc 0
56 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 6.95573 9.33924 9.55584 12.2587 8.06642 7.93372 11.988 9.0176 11.4107 numMergedOcc 0
57 mol 134 unq 1 iso 1 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 8.06642 7.93372 11.988 9.0176 6.95573 9.33924 9.55584 12.2587 11.4107 numMergedOcc 0
58 mol 134 unq 2 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 10.2026 9.33924 13.9752 12.2587 4.00092 7.93372 7.21868 9.0176 11.4107 numMergedOcc 0
59 mol 134 unq 2 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 4.00092 7.93372 7.21868 9.0176 10.2026 9.33924 13.9752 12.2587 11.4107 numMergedOcc 0
60 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 9.53265 9.78634 12.8149 15.7529 6.35474 5.64942 6.97962 13.3256 5.9655 numMergedOcc 0
61 mol 192 unq 0 iso 1 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 6.35474 5.64942 6.97962 13.3256 9.53265 9.78634 12.8149 15.7529 5.9655 numMergedOcc 0
62 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 9.53265 9.78634 12.8149 15.7529 5.25965 7.43054 6.79229 13.7172 7.70298 numMergedOcc 0
63 mol 192 unq 1 iso 1 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 5.25965 7.43054 6.79229 13.7172 9.53265 9.78634 12.8149 15.7529 7.70298 numMergedOcc 0
64 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 6.35474 5.64942 6.97962 13.3256 5.25965 7.43054 6.79229 13.7172 3.60331 numMergedOcc 0
65 mol 192 unq 1 iso 1 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 5.25965 7.43054 6.79229 13.7172 6.35474 5.64942 6.97962 13.3256 3.60331 numMergedOcc 0
66 mol 192 unq 2 iso 0 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 6.35474 6.97962 5.64942 13.3256 5.25965 6.79229 7.43054 13.7172 3.60331 numMergedOcc 0
67 mol 192 unq 2 iso 1 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 5.25965 6.79229 7.43054 13.7172 6.35474 6.97962 5.64942 13.3256 3.60331 numMergedOcc 0
68 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 6.84862 5.56538 14.4477 8.43195 9.53117 7.48954 16.3082 8.23406 3.58181 numMergedOcc 0
69 mol 222 unq 0 iso 1 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 9.53117 7.48954 16.3082 8.23406 6.84862 5.56538 14.4477 8.43195 3.58181 numMergedOcc 0
70 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 9.82371 16.0949 8.52017 6.84862 5.56538 14.4477 14.0832 9.53117 7.48954 16.3082 14.9425 3.58181 numMergedOcc 0
71 mol 222 unq 1 iso 1 dist 7.21333 8.01589 13.3522 9.82371 16.0949 8.52017 9.53117 7.48954 16.3082 14.9425 6.84862 5.56538 14.4477 14.0832 3.58181 numMergedOcc 0
72 mol 222 unq 2 iso 0 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 6.84862 5.56538 10.0233 8.43195 9.53117 7.48954 11.839 8.23406 3.58181 numMergedOcc 0
73 mol 222 unq 2 iso 1 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 9.53117 7.48954 11.839 8.23406 6.84862 5.56538 10.0233 8.43195 3.58181 numMergedOcc 0
74 mol 222 unq 3 iso 0 dist 7.21333 7.7699 5.24516 9.82371 16.0949 15.7504 6.84862 5.56538 10.0233 14.0832 9.53117 7.48954 11.839 14.9425 3.58181 numMergedOcc 0
75 mol 222 unq 3 iso 1 dist 7.21333 7.7699 5.24516 9.82371 16.0949 15.7504 9.53117 7.48954 11.839 14.9425 6.84862 5.56538 10.0233 14.0832 3.58181 numMergedOcc 0
76 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 7.20604 9.63573 12.8229 11.547 8.8603 7.66153 9.07743 14.6679 10.3051 numMergedOcc 0
77 mol 259 unq 0 iso 1 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 8.8603 7.66153 9.07743 14.6679 7.20604 9.63573 12.8229 11.547 10.3051 numMergedOcc 0
