0 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 8.92687 8.4051 5.11617 13.2229 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.40392 8.59466 7.36323 8.23069 5.54419 12.3067 8.92687 8.4051 13.2229 5.11617 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 13.278 8.23446 13.1779 6.38336 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 7.40392 8.59466 7.36323 8.23069 5.54419 12.3067 13.278 8.23446 6.38336 13.1779 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 5.12527 8.75662 10.8238 6.7828 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 7.40392 8.59466 7.36323 8.23069 5.54419 12.3067 5.12527 8.75662 6.7828 10.8238 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 15.6642 7.17969 4.33106 6.84017 6.16347 9.34396 10.8498 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 8.94828 15.6642 7.17969 14.2406 7.57578 4.33106 6.84017 6.16347 10.8498 9.34396 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 8.94828 14.2406 7.57578 15.6642 7.17969 4.33106 15.5398 7.92503 6.11127 5.30154 numMergedOcc 0
9 mol 25 unq 1 iso 1 dist 8.94828 15.6642 7.17969 14.2406 7.57578 4.33106 15.5398 7.92503 5.30154 6.11127 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 10.4413 6.20293 8.13395 5.33298 8.95682 6.18002 8.38399 numMergedOcc 0
11 mol 43 unq 0 iso 1 dist 8.06275 10.4413 6.20293 5.5249 8.80331 8.13395 5.33298 8.95682 8.38399 6.18002 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 8.90024 13.9129 8.80331 5.84171 6.20293 8.13395 13.2914 8.95682 6.18002 8.38399 numMergedOcc 0
13 mol 43 unq 1 iso 1 dist 8.90024 5.84171 6.20293 13.9129 8.80331 8.13395 13.2914 8.95682 8.38399 6.18002 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 16.2349 9.96708 10.7394 11.9655 9.27838 15.434 11.6378 numMergedOcc 0
15 mol 72 unq 0 iso 1 dist 9.43143 16.2349 9.96708 10.5786 8.8178 10.7394 11.9655 9.27838 11.6378 15.434 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.8079 5.182 7.4729 10.571 6.82344 8.95922 13.832 6.95572 9.50382 7.56363 numMergedOcc 0
17 mol 92 unq 0 iso 1 dist 9.8079 10.571 6.82344 5.182 7.4729 8.95922 13.832 6.95572 7.56363 9.50382 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 9.8079 5.182 7.4729 10.571 6.82344 8.95922 15.33 7.38677 12.7565 5.91004 numMergedOcc 0
19 mol 92 unq 1 iso 1 dist 9.8079 10.571 6.82344 5.182 7.4729 8.95922 15.33 7.38677 5.91004 12.7565 numMergedOcc 0
20 mol 92 unq 2 iso 0 dist 8.3558 15.1474 7.4729 8.66262 6.82344 8.95922 10.2731 6.95572 9.50382 7.56363 numMergedOcc 0
21 mol 92 unq 2 iso 1 dist 8.3558 8.66262 6.82344 15.1474 7.4729 8.95922 10.2731 6.95572 7.56363 9.50382 numMergedOcc 0
22 mol 92 unq 3 iso 0 dist 8.3558 15.1474 7.4729 8.66262 6.82344 8.95922 4.66752 7.38677 12.7565 5.91004 numMergedOcc 0
23 mol 92 unq 3 iso 1 dist 8.3558 8.66262 6.82344 15.1474 7.4729 8.95922 4.66752 7.38677 5.91004 12.7565 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 7.4052 8.83255 6.59319 5.04455 9.49454 13.3662 12.0666 numMergedOcc 0
25 mol 95 unq 0 iso 1 dist 6.86713 7.4052 8.83255 10.3731 9.03572 6.59319 5.04455 9.49454 12.0666 13.3662 numMergedOcc 0
26 mol 95 unq 1 iso 0 dist 6.86713 10.3731 9.03572 9.70895 8.03644 16.6055 5.04455 9.49454 13.3662 11.4333 numMergedOcc 0
27 mol 95 unq 1 iso 1 dist 6.86713 9.70895 8.03644 10.3731 9.03572 16.6055 5.04455 9.49454 11.4333 13.3662 numMergedOcc 0
28 mol 95 unq 1 iso 0 dist 6.86713 7.4052 8.83255 9.70895 8.03644 13.8105 5.04455 9.49454 12.0666 11.4333 numMergedOcc 0
29 mol 95 unq 1 iso 1 dist 6.86713 9.70895 8.03644 7.4052 8.83255 13.8105 5.04455 9.49454 11.4333 12.0666 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 15.1765 6.48948 9.51923 15.5475 6.65501 4.4057 7.42446 numMergedOcc 0
31 mol 98 unq 0 iso 1 dist 9.83528 15.1765 6.48948 12.3158 5.08437 9.51923 15.5475 6.65501 7.42446 4.4057 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 9.83528 12.3158 5.08437 8.06684 6.10456 8.40073 15.5475 6.65501 4.4057 9.67482 numMergedOcc 0
33 mol 98 unq 1 iso 1 dist 9.83528 8.06684 6.10456 12.3158 5.08437 8.40073 15.5475 6.65501 9.67482 4.4057 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 8.06684 6.10456 9.42358 15.5475 6.65501 7.42446 9.67482 numMergedOcc 0
35 mol 98 unq 1 iso 1 dist 9.83528 8.06684 6.10456 15.1765 6.48948 9.42358 15.5475 6.65501 9.67482 7.42446 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 7.54969 11.7493 5.08437 10.3366 6.48948 9.51923 13.2316 6.65501 4.4057 7.42446 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 7.54969 10.3366 6.48948 11.7493 5.08437 9.51923 13.2316 6.65501 7.42446 4.4057 numMergedOcc 0
38 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 5.15322 6.10456 8.40073 13.2316 6.65501 4.4057 9.67482 numMergedOcc 0
39 mol 98 unq 3 iso 1 dist 7.54969 5.15322 6.10456 11.7493 5.08437 8.40073 13.2316 6.65501 9.67482 4.4057 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 7.54969 10.3366 6.48948 5.15322 6.10456 9.42358 13.2316 6.65501 7.42446 9.67482 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 7.54969 5.15322 6.10456 10.3366 6.48948 9.42358 13.2316 6.65501 9.67482 7.42446 numMergedOcc 0
42 mol 115 unq 0 iso 0 dist 6.23645 4.96719 7.11972 6.47836 6.90986 10.498 5.19545 5.88249 6.77806 5.31484 numMergedOcc 0
43 mol 115 unq 0 iso 1 dist 6.23645 6.47836 6.90986 4.96719 7.11972 10.498 5.19545 5.88249 5.31484 6.77806 numMergedOcc 0
44 mol 133 unq 0 iso 0 dist 9.94179 6.75154 6.5107 6.70853 9.52634 9.56949 4.77149 6.66772 7.12976 4.34568 numMergedOcc 0
45 mol 133 unq 0 iso 1 dist 9.94179 6.70853 9.52634 6.75154 6.5107 9.56949 4.77149 6.66772 4.34568 7.12976 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 4.9155 9.30817 6.54501 10.879 6.49416 5.00526 6.64576 7.80532 7.41674 9.87376 numMergedOcc 0
47 mol 134 unq 0 iso 1 dist 4.9155 10.879 6.49416 9.30817 6.54501 5.00526 6.64576 7.80532 9.87376 7.41674 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 8.49987 6.47843 6.54501 10.9399 6.49416 5.00526 5.54455 7.80532 7.41674 9.87376 numMergedOcc 0
49 mol 134 unq 1 iso 1 dist 8.49987 10.9399 6.49416 6.47843 6.54501 5.00526 5.54455 7.80532 9.87376 7.41674 numMergedOcc 0
50 mol 134 unq 2 iso 0 dist 9.42271 6.16353 6.54501 7.07625 6.49416 5.00526 5.87436 7.80532 7.41674 9.87376 numMergedOcc 0
51 mol 134 unq 2 iso 1 dist 9.42271 7.07625 6.49416 6.16353 6.54501 5.00526 5.87436 7.80532 9.87376 7.41674 numMergedOcc 0
52 mol 134 unq 3 iso 0 dist 5.79157 13.0109 9.86662 14.1608 9.71307 5.49782 12.2847 9.94764 4.57832 5.29786 numMergedOcc 0
53 mol 134 unq 3 iso 1 dist 5.79157 14.1608 9.71307 13.0109 9.86662 5.49782 12.2847 9.94764 5.29786 4.57832 numMergedOcc 0
54 mol 205 unq 0 iso 0 dist 8.57514 5.56395 9.61492 12.397 7.45763 11.8283 7.35197 4.8668 9.13652 5.8535 numMergedOcc 0
55 mol 205 unq 0 iso 1 dist 8.57514 12.397 7.45763 5.56395 9.61492 11.8283 7.35197 4.8668 5.8535 9.13652 numMergedOcc 0
56 mol 205 unq 1 iso 0 dist 6.11505 9.35174 9.61492 11.3225 7.45763 11.8283 5.68053 4.8668 9.13652 5.8535 numMergedOcc 0
57 mol 205 unq 1 iso 1 dist 6.11505 11.3225 7.45763 9.35174 9.61492 11.8283 5.68053 4.8668 5.8535 9.13652 numMergedOcc 0
58 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 7.6832 8.40182 4.06055 6.46271 7.79066 9.0443 12.1512 numMergedOcc 0
59 mol 231 unq 0 iso 1 dist 6.02527 7.6832 8.40182 6.68357 7.37839 4.06055 6.46271 7.79066 12.1512 9.0443 numMergedOcc 0
60 mol 264 unq 0 iso 0 dist 7.37999 4.72487 9.361 11.0659 6.24356 10.3202 10.9458 7.16853 11.1431 5.00209 numMergedOcc 0
61 mol 264 unq 0 iso 1 dist 7.37999 11.0659 6.24356 4.72487 9.361 10.3202 10.9458 7.16853 5.00209 11.1431 numMergedOcc 0
62 mol 264 unq 1 iso 0 dist 7.36703 5.28781 9.361 5.91731 6.24356 10.3202 6.24807 7.16853 11.1431 5.00209 numMergedOcc 0
63 mol 264 unq 1 iso 1 dist 7.36703 5.91731 6.24356 5.28781 9.361 10.3202 6.24807 7.16853 5.00209 11.1431 numMergedOcc 0
64 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 11.3302 8.49997 6.33073 8.85159 9.85289 6.20558 11.4459 numMergedOcc 0
65 mol 274 unq 0 iso 1 dist 9.13226 11.3302 8.49997 10.7073 7.56915 6.33073 8.85159 9.85289 11.4459 6.20558 numMergedOcc 0
