0 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 13.0935 12.8323 8.41585 17.9044 16.4746 10.6104 5.51421 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 6.3236 6.1206 12.8676 7.12508 7.10621 20.9845 16.2118 14.6665 9.8603 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.00249 6.3236 7.67927 12.8676 11.143 7.10621 20.9845 18.9985 14.6665 9.8603 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 6.49709 4.10106 4.61088 7.4835 6.50001 3.77561 5.95165 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 10.6551 5.50396 7.36323 10.7171 6.36381 5.80023 9.54519 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 10.7171 16.6394 13.2653 9.54519 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 13.8983 10.4056 10.4744 6.11056 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 4.93826 5.77745 5.8503 8.6396 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.74209 5.5249 6.6263 8.06275 5.41726 8.80331 6.41579 12.266 11.0096 8.38387 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.74209 10.4413 6.75943 8.06275 5.41726 6.20293 6.41579 12.266 11.8286 8.38387 numMergedOcc 0
10 mol 43 unq 2 iso 0 dist 9.85555 5.46715 6.6263 13.5835 5.41726 8.80331 15.6613 12.266 11.0096 8.38387 numMergedOcc 0
11 mol 43 unq 3 iso 0 dist 9.85555 12.902 6.75943 13.5835 5.41726 6.20293 15.6613 12.266 11.8286 8.38387 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 4.84407 12.0576 5.69671 9.65047 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 4.84407 10.4457 5.69671 9.65047 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 4.84407 9.70292 5.69671 9.65047 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 10.4899 14.2657 11.3628 5.9747 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 12.5314 14.7607 9.82583 4.50572 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 6.37954 5.90686 5.10496 9.32725 3.9764 5.08437 10.4899 8.3505 4.75138 5.9747 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 6.37954 5.90686 5.10496 9.32725 3.9764 5.08437 12.5314 8.32269 6.88489 4.50572 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 6.37954 11.2946 5.92242 9.32725 3.9764 6.48948 10.4899 8.3505 10.4417 5.9747 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 6.37954 11.2946 5.92242 9.32725 3.9764 6.48948 12.5314 8.32269 9.63267 4.50572 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 10.4899 8.3505 11.3628 5.9747 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 12.5314 8.32269 9.82583 4.50572 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 8.59103 8.36322 6.29161 11.7396 6.73011 7.34473 13.7995 13.543 9.47324 8.73648 numMergedOcc 0
24 mol 109 unq 1 iso 0 dist 6.62354 5.68669 8.52024 9.26438 5.00433 8.69985 9.97562 9.94704 11.5656 8.3164 numMergedOcc 0
25 mol 109 unq 2 iso 0 dist 8.00085 6.80429 8.52024 6.43255 5.00433 8.69985 13.5611 9.94704 11.5656 8.3164 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 18.5013 10.3209 7.30858 18.9536 15.2429 8.25001 9.35868 numMergedOcc 0
27 mol 115 unq 1 iso 0 dist 9.90992 12.718 7.69765 16.7328 11.835 7.88312 20.4929 16.4805 10.9437 4.98864 numMergedOcc 0
28 mol 115 unq 2 iso 0 dist 9.90992 12.718 7.69765 16.7328 11.835 7.88312 19.327 17.9091 12.0354 7.95871 numMergedOcc 0
29 mol 115 unq 3 iso 0 dist 8.54304 5.98221 6.24825 11.172 6.01673 5.83991 11.363 9.5681 6.75472 5.02717 numMergedOcc 0
30 mol 117 unq 0 iso 0 dist 7.85205 7.96311 6.10127 13.8533 10.5783 7.90328 14.8477 15.0886 10.4485 6.90827 numMergedOcc 0
31 mol 117 unq 1 iso 0 dist 7.85205 7.96311 6.10127 13.8533 10.5783 7.90328 19.8362 18.6425 13.8755 8.90977 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 9.79337 12.8086 9.86662 15.1757 14.5777 6.20443 9.92932 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 9.79337 12.8086 9.86662 13.5949 10.6236 6.36794 9.55556 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 15.1757 14.5777 6.20443 9.60411 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 6.14652 7.07625 9.33094 9.79337 7.41373 8.94367 15.1757 12.3555 10.5108 9.92932 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 6.14652 7.07625 9.33094 9.79337 7.41373 8.94367 13.5949 8.78303 11.9294 9.55556 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 15.1757 12.3555 10.5108 9.60411 numMergedOcc 0
38 mol 134 unq 6 iso 0 dist 6.14652 10.4858 8.69531 9.79337 7.41373 9.86662 15.1757 12.3555 6.20443 9.92932 numMergedOcc 0
39 mol 134 unq 7 iso 0 dist 6.14652 10.4858 8.69531 9.79337 7.41373 9.86662 13.5949 8.78303 6.36794 9.55556 numMergedOcc 0
40 mol 134 unq 8 iso 0 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 15.1757 12.3555 6.20443 9.60411 numMergedOcc 0
41 mol 143 unq 0 iso 0 dist 9.11314 10.5234 5.37047 12.9413 4.78563 5.99315 16.7641 12.027 11.3469 8.30654 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 8.34839 5.39112 8.56324 6.11789 12.0918 10.4039 8.07256 numMergedOcc 0
43 mol 152 unq 1 iso 0 dist 9.4275 10.5295 6.70693 8.34839 5.39112 6.70283 6.11789 12.0918 11.1874 8.07256 numMergedOcc 0
44 mol 152 unq 2 iso 0 dist 9.83462 5.65129 8.9192 8.34839 4.84714 8.56324 6.11789 11.756 10.4039 8.07256 numMergedOcc 0
45 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 11.4413 6.84862 7.21333 20.0049 15.2698 16.4881 9.55777 numMergedOcc 0
46 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 11.4413 9.53117 7.21333 20.0049 16.9252 16.4881 9.55777 numMergedOcc 0
47 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 10.0145 7.8414 8.2734 4.56764 5.72473 8.04474 9.30668 numMergedOcc 0
