0 mol 25 unq 0 iso 0 dist 7.05148 6.17631 8.6653 9.87281 5.64303 7.31767 7.63928 5.82503 6.03987 4.51512 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 7.05148 6.17631 8.6653 7.63928 5.82503 6.03987 9.87281 5.64303 7.31767 4.51512 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.05148 5.59268 7.92503 10.5993 6.11127 7.57578 8.88413 5.30154 7.17969 4.33106 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 7.05148 5.59268 7.92503 8.88413 5.30154 7.17969 10.5993 6.11127 7.57578 4.33106 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 9.01612 10.2049 6.86465 6.36193 9.95364 6.62496 5.30792 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 5.84625 5.40367 8.80614 6.36193 9.95364 6.62496 9.01612 10.2049 6.86465 5.30792 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 9.01612 10.2049 6.86465 4.88613 5.49591 6.35756 5.35073 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 5.84625 5.40367 8.80614 4.88613 5.49591 6.35756 9.01612 10.2049 6.86465 5.35073 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 6.36193 9.95364 6.62496 4.88613 5.49591 6.35756 4.81926 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 5.84625 5.40367 8.80614 4.88613 5.49591 6.35756 6.36193 9.95364 6.62496 4.81926 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.18898 4.52119 6.95572 11.8917 9.50382 7.4729 9.79361 7.56363 6.82344 8.95922 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.18898 4.52119 6.95572 9.79361 7.56363 6.82344 11.8917 9.50382 7.4729 8.95922 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 7.67331 4.52119 7.38677 11.8917 12.7565 7.4729 9.79361 5.91004 6.82344 8.95922 numMergedOcc 0
13 mol 92 unq 1 iso 1 dist 7.67331 4.52119 7.38677 9.79361 5.91004 6.82344 11.8917 12.7565 7.4729 8.95922 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.49995 5.69671 9.49454 12.5791 13.3662 9.03572 13.9545 12.0666 8.83255 6.59319 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 9.49995 5.69671 9.49454 13.9545 12.0666 8.83255 12.5791 13.3662 9.03572 6.59319 numMergedOcc 0
16 mol 95 unq 1 iso 0 dist 9.49995 5.69671 9.49454 12.5791 13.3662 9.03572 9.65047 11.4333 8.03644 16.6055 numMergedOcc 0
17 mol 95 unq 1 iso 1 dist 9.49995 5.69671 9.49454 9.65047 11.4333 8.03644 12.5791 13.3662 9.03572 16.6055 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 9.49995 5.69671 9.49454 13.9545 12.0666 8.83255 9.65047 11.4333 8.03644 13.8105 numMergedOcc 0
19 mol 95 unq 1 iso 1 dist 9.49995 5.69671 9.49454 9.65047 11.4333 8.03644 13.9545 12.0666 8.83255 13.8105 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 9.86988 7.59962 7.58957 13.8631 5.68211 9.61051 12.5845 10.5488 5.83384 9.05135 numMergedOcc 0
21 mol 129 unq 0 iso 1 dist 9.86988 7.59962 7.58957 12.5845 10.5488 5.83384 13.8631 5.68211 9.61051 9.05135 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.6561 7.36833 6.66772 13.1045 7.12976 6.5107 10.3751 4.34568 9.52634 9.56949 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 8.6561 7.36833 6.66772 10.3751 4.34568 9.52634 13.1045 7.12976 6.5107 9.56949 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 8.6561 5.27217 7.71248 10.3751 4.34568 7.24514 13.2491 10.6025 8.22656 6.65743 numMergedOcc 0
25 mol 133 unq 1 iso 1 dist 8.6561 5.27217 7.71248 13.2491 10.6025 8.22656 10.3751 4.34568 7.24514 6.65743 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 5.66363 9.47799 8.90963 9.86845 8.91338 9.1374 13.0329 9.81073 5.98885 8.88798 numMergedOcc 0
27 mol 181 unq 0 iso 1 dist 5.66363 9.47799 8.90963 13.0329 9.81073 5.98885 9.86845 8.91338 9.1374 8.88798 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 5.66363 9.47799 8.90963 9.86845 8.91338 9.1374 14.039 9.34211 9.15386 12.1628 numMergedOcc 0
29 mol 181 unq 1 iso 1 dist 5.66363 9.47799 8.90963 14.039 9.34211 9.15386 9.86845 8.91338 9.1374 12.1628 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 5.66363 9.47799 8.90963 13.0329 9.81073 5.98885 14.039 9.34211 9.15386 5.16002 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 5.66363 9.47799 8.90963 14.039 9.34211 9.15386 13.0329 9.81073 5.98885 5.16002 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 5.97968 9.09989 8.90963 12.5284 8.91338 9.1374 12.9014 9.81073 5.98885 8.88798 numMergedOcc 0
33 mol 181 unq 2 iso 1 dist 5.97968 9.09989 8.90963 12.9014 9.81073 5.98885 12.5284 8.91338 9.1374 8.88798 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 5.97968 9.09989 8.90963 12.5284 8.91338 9.1374 12.9138 9.34211 9.15386 12.1628 numMergedOcc 0
35 mol 181 unq 3 iso 1 dist 5.97968 9.09989 8.90963 12.9138 9.34211 9.15386 12.5284 8.91338 9.1374 12.1628 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 5.97968 9.09989 8.90963 12.9014 9.81073 5.98885 12.9138 9.34211 9.15386 5.16002 numMergedOcc 0
37 mol 181 unq 3 iso 1 dist 5.97968 9.09989 8.90963 12.9138 9.34211 9.15386 12.9014 9.81073 5.98885 5.16002 numMergedOcc 0
38 mol 181 unq 4 iso 0 dist 8.50382 12.4243 8.90963 16.91 8.91338 9.1374 14.5608 9.81073 5.98885 8.88798 numMergedOcc 0
39 mol 181 unq 4 iso 1 dist 8.50382 12.4243 8.90963 14.5608 9.81073 5.98885 16.91 8.91338 9.1374 8.88798 numMergedOcc 0
40 mol 181 unq 5 iso 0 dist 8.50382 12.4243 8.90963 16.91 8.91338 9.1374 12.2786 9.34211 9.15386 12.1628 numMergedOcc 0
41 mol 181 unq 5 iso 1 dist 8.50382 12.4243 8.90963 12.2786 9.34211 9.15386 16.91 8.91338 9.1374 12.1628 numMergedOcc 0
42 mol 181 unq 5 iso 0 dist 8.50382 12.4243 8.90963 14.5608 9.81073 5.98885 12.2786 9.34211 9.15386 5.16002 numMergedOcc 0
43 mol 181 unq 5 iso 1 dist 8.50382 12.4243 8.90963 12.2786 9.34211 9.15386 14.5608 9.81073 5.98885 5.16002 numMergedOcc 0
44 mol 181 unq 6 iso 0 dist 8.63119 4.98009 8.90963 12.0593 8.91338 9.1374 10.3248 9.81073 5.98885 8.88798 numMergedOcc 0
45 mol 181 unq 6 iso 1 dist 8.63119 4.98009 8.90963 10.3248 9.81073 5.98885 12.0593 8.91338 9.1374 8.88798 numMergedOcc 0
46 mol 181 unq 7 iso 0 dist 8.63119 4.98009 8.90963 12.0593 8.91338 9.1374 11.7479 9.34211 9.15386 12.1628 numMergedOcc 0
47 mol 181 unq 7 iso 1 dist 8.63119 4.98009 8.90963 11.7479 9.34211 9.15386 12.0593 8.91338 9.1374 12.1628 numMergedOcc 0
48 mol 181 unq 7 iso 0 dist 8.63119 4.98009 8.90963 10.3248 9.81073 5.98885 11.7479 9.34211 9.15386 5.16002 numMergedOcc 0
49 mol 181 unq 7 iso 1 dist 8.63119 4.98009 8.90963 11.7479 9.34211 9.15386 10.3248 9.81073 5.98885 5.16002 numMergedOcc 0
50 mol 204 unq 0 iso 0 dist 8.62191 18.2283 9.68728 14.9107 7.67571 7.10633 18.4353 10.8573 8.51516 10.8344 numMergedOcc 0
51 mol 204 unq 0 iso 1 dist 8.62191 18.2283 9.68728 18.4353 10.8573 8.51516 14.9107 7.67571 7.10633 10.8344 numMergedOcc 0
52 mol 205 unq 0 iso 0 dist 5.86419 4.78067 4.8668 13.2374 9.13652 9.61492 9.34594 5.8535 7.45763 11.8283 numMergedOcc 0
53 mol 205 unq 0 iso 1 dist 5.86419 4.78067 4.8668 9.34594 5.8535 7.45763 13.2374 9.13652 9.61492 11.8283 numMergedOcc 0
54 mol 205 unq 1 iso 0 dist 7.23557 4.2475 4.8668 13.2057 9.13652 9.61492 6.752 5.8535 7.45763 11.8283 numMergedOcc 0
55 mol 205 unq 1 iso 1 dist 7.23557 4.2475 4.8668 6.752 5.8535 7.45763 13.2057 9.13652 9.61492 11.8283 numMergedOcc 0
56 mol 205 unq 2 iso 0 dist 8.86587 6.8901 4.8668 13.3164 9.13652 9.61492 5.4913 5.8535 7.45763 11.8283 numMergedOcc 0
57 mol 205 unq 2 iso 1 dist 8.86587 6.8901 4.8668 5.4913 5.8535 7.45763 13.3164 9.13652 9.61492 11.8283 numMergedOcc 0
58 mol 222 unq 0 iso 0 dist 5.89818 4.82768 7.67576 10.8522 10.3151 8.01589 10.0664 7.81022 7.7699 10.4579 numMergedOcc 0
59 mol 222 unq 0 iso 1 dist 5.89818 4.82768 7.67576 10.0664 7.81022 7.7699 10.8522 10.3151 8.01589 10.4579 numMergedOcc 0
60 mol 222 unq 1 iso 0 dist 5.89818 4.82768 7.67576 10.8522 10.3151 8.01589 7.85877 7.75656 7.21333 13.3522 numMergedOcc 0
61 mol 222 unq 1 iso 1 dist 5.89818 4.82768 7.67576 7.85877 7.75656 7.21333 10.8522 10.3151 8.01589 13.3522 numMergedOcc 0
62 mol 222 unq 1 iso 0 dist 5.89818 4.82768 7.67576 10.0664 7.81022 7.7699 7.85877 7.75656 7.21333 5.24516 numMergedOcc 0
63 mol 222 unq 1 iso 1 dist 5.89818 4.82768 7.67576 7.85877 7.75656 7.21333 10.0664 7.81022 7.7699 5.24516 numMergedOcc 0
64 mol 222 unq 2 iso 0 dist 9.32543 4.82768 9.82371 10.8522 8.52017 8.01589 10.0664 15.7504 7.7699 10.4579 numMergedOcc 0
65 mol 222 unq 2 iso 1 dist 9.32543 4.82768 9.82371 10.0664 15.7504 7.7699 10.8522 8.52017 8.01589 10.4579 numMergedOcc 0
66 mol 222 unq 3 iso 0 dist 9.32543 4.82768 9.82371 10.8522 8.52017 8.01589 7.85877 16.0949 7.21333 13.3522 numMergedOcc 0
67 mol 222 unq 3 iso 1 dist 9.32543 4.82768 9.82371 7.85877 16.0949 7.21333 10.8522 8.52017 8.01589 13.3522 numMergedOcc 0
68 mol 222 unq 3 iso 0 dist 9.32543 4.82768 9.82371 10.0664 15.7504 7.7699 7.85877 16.0949 7.21333 5.24516 numMergedOcc 0
69 mol 222 unq 3 iso 1 dist 9.32543 4.82768 9.82371 7.85877 16.0949 7.21333 10.0664 15.7504 7.7699 5.24516 numMergedOcc 0
70 mol 223 unq 0 iso 0 dist 7.81769 8.78003 7.48463 16.8669 11.8654 8.77153 13.1127 6.05524 8.6166 8.51421 numMergedOcc 0
71 mol 223 unq 0 iso 1 dist 7.81769 8.78003 7.48463 13.1127 6.05524 8.6166 16.8669 11.8654 8.77153 8.51421 numMergedOcc 0
72 mol 223 unq 1 iso 0 dist 7.66694 5.33327 7.48463 13.9834 11.8654 8.77153 11.478 6.05524 8.6166 8.51421 numMergedOcc 0
73 mol 223 unq 1 iso 1 dist 7.66694 5.33327 7.48463 11.478 6.05524 8.6166 13.9834 11.8654 8.77153 8.51421 numMergedOcc 0
74 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 15.0261 10.7772 7.57994 10.454 7.04666 6.18582 5.01979 numMergedOcc 0
75 mol 249 unq 0 iso 1 dist 6.58109 9.9244 5.48118 10.454 7.04666 6.18582 15.0261 10.7772 7.57994 5.01979 numMergedOcc 0
76 mol 264 unq 0 iso 0 dist 9.3201 3.93713 7.16853 13.1873 11.1431 9.361 8.19504 5.00209 6.24356 10.3202 numMergedOcc 0
77 mol 264 unq 0 iso 1 dist 9.3201 3.93713 7.16853 8.19504 5.00209 6.24356 13.1873 11.1431 9.361 10.3202 numMergedOcc 0
78 mol 274 unq 0 iso 0 dist 9.11072 9.85454 9.85289 12.6706 6.20558 7.56915 16.6696 11.4459 8.49997 6.33073 numMergedOcc 0
79 mol 274 unq 0 iso 1 dist 9.11072 9.85454 9.85289 16.6696 11.4459 8.49997 12.6706 6.20558 7.56915 6.33073 numMergedOcc 0
80 mol 274 unq 1 iso 0 dist 9.02071 5.9882 9.85289 9.71801 6.20558 7.56915 13.4994 11.4459 8.49997 6.33073 numMergedOcc 0
81 mol 274 unq 1 iso 1 dist 9.02071 5.9882 9.85289 13.4994 11.4459 8.49997 9.71801 6.20558 7.56915 6.33073 numMergedOcc 0
