0 mol 7 unq 0 iso 0 dist 9.20552 9.81211 5.51421 15.1647 8.41585 10.6104 14.4965 12.8323 16.4746 9.87885 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.49709 7.4835 5.95165 5.51815 4.61088 3.77561 5.59847 4.10106 6.50001 6.54358 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.40392 10.9024 9.54519 8.23069 5.54419 13.2653 10.2624 4.82629 14.1706 6.6219 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.40392 10.9024 9.54519 8.23069 5.54419 13.2653 13.5967 10.1698 16.6394 5.68215 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 7.40392 10.9024 9.54519 8.59466 7.36323 5.80023 13.1831 6.28159 9.49646 8.87744 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 7.40392 10.9024 9.54519 8.59466 7.36323 5.80023 11.0243 5.50396 6.36381 7.27472 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.06275 6.41579 8.38387 5.5249 8.80331 11.0096 8.74209 5.41726 12.266 6.6263 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.06275 6.41579 8.38387 10.4413 6.20293 11.8286 8.74209 5.41726 12.266 6.75943 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 8.90024 14.9559 8.38387 13.9129 8.80331 11.0096 10.8355 5.41726 12.266 6.6263 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 8.90024 14.9559 8.38387 5.84171 6.20293 11.8286 10.8355 5.41726 12.266 6.75943 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 9.83528 13.0144 5.9747 12.3158 5.08437 4.75138 11.8912 3.9764 8.3505 5.10496 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 9.83528 13.0144 5.9747 15.1765 6.48948 10.4417 11.8912 3.9764 8.3505 5.92242 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 9.83528 13.0144 5.9747 15.1765 6.48948 10.4417 15.0815 7.03983 7.34638 7.02507 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 9.83528 13.0144 5.9747 8.06684 6.10456 11.3628 15.2524 10.4782 14.2657 7.54889 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 9.83528 13.0144 5.9747 8.06684 6.10456 11.3628 11.8912 3.9764 8.3505 5.2571 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 9.83528 10.11 4.50572 12.3158 5.08437 6.88489 11.8912 3.9764 8.32269 5.10496 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 9.83528 10.11 4.50572 15.1765 6.48948 9.63267 11.8912 3.9764 8.32269 5.92242 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 9.83528 10.11 4.50572 15.1765 6.48948 9.63267 15.0815 7.03983 6.0995 7.02507 numMergedOcc 0
18 mol 98 unq 8 iso 0 dist 9.83528 10.11 4.50572 8.06684 6.10456 9.82583 15.2524 10.4782 14.7607 7.54889 numMergedOcc 0
19 mol 98 unq 9 iso 0 dist 9.83528 10.11 4.50572 8.06684 6.10456 9.82583 11.8912 3.9764 8.32269 5.2571 numMergedOcc 0
20 mol 98 unq 10 iso 0 dist 7.54969 12.9828 5.9747 11.7493 5.08437 4.75138 8.79016 3.9764 8.3505 5.10496 numMergedOcc 0
21 mol 98 unq 11 iso 0 dist 7.54969 12.9828 5.9747 10.3366 6.48948 10.4417 8.79016 3.9764 8.3505 5.92242 numMergedOcc 0
22 mol 98 unq 12 iso 0 dist 7.54969 12.9828 5.9747 10.3366 6.48948 10.4417 12.3426 7.03983 7.34638 7.02507 numMergedOcc 0
23 mol 98 unq 13 iso 0 dist 7.54969 12.9828 5.9747 5.15322 6.10456 11.3628 12.301 10.4782 14.2657 7.54889 numMergedOcc 0
24 mol 98 unq 14 iso 0 dist 7.54969 12.9828 5.9747 5.15322 6.10456 11.3628 8.79016 3.9764 8.3505 5.2571 numMergedOcc 0
25 mol 98 unq 15 iso 0 dist 7.54969 9.82501 4.50572 11.7493 5.08437 6.88489 8.79016 3.9764 8.32269 5.10496 numMergedOcc 0
26 mol 98 unq 16 iso 0 dist 7.54969 9.82501 4.50572 10.3366 6.48948 9.63267 8.79016 3.9764 8.32269 5.92242 numMergedOcc 0
27 mol 98 unq 17 iso 0 dist 7.54969 9.82501 4.50572 10.3366 6.48948 9.63267 12.3426 7.03983 6.0995 7.02507 numMergedOcc 0
28 mol 98 unq 18 iso 0 dist 7.54969 9.82501 4.50572 5.15322 6.10456 9.82583 12.301 10.4782 14.7607 7.54889 numMergedOcc 0
29 mol 98 unq 19 iso 0 dist 7.54969 9.82501 4.50572 5.15322 6.10456 9.82583 8.79016 3.9764 8.32269 5.2571 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 9.26438 9.97562 8.3164 5.68669 8.69985 11.5656 6.62354 5.00433 9.94704 8.52024 numMergedOcc 0
31 mol 109 unq 1 iso 0 dist 6.43255 13.5611 8.3164 6.80429 8.69985 11.5656 8.00085 5.00433 9.94704 8.52024 numMergedOcc 0
32 mol 109 unq 2 iso 0 dist 7.4389 13.6781 8.3164 12.3794 8.69985 11.5656 11.8878 5.00433 9.94704 8.52024 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.84656 18.3189 9.60411 10.879 6.37586 10.5108 14.395 10.8635 12.3555 9.33094 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 8.84656 18.3189 9.60411 16.7911 9.71307 6.20443 18.4308 15.0225 14.5777 9.1998 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 8.84656 18.3189 9.60411 16.7911 9.71307 6.20443 14.395 10.8635 12.3555 8.69531 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 8.34839 6.11789 8.07256 5.65129 8.56324 10.4039 9.4275 5.39112 12.0918 6.59889 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 8.34839 6.11789 8.07256 5.65129 8.56324 10.4039 9.83462 4.84714 11.756 8.9192 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 8.34839 6.11789 8.07256 10.5295 6.70283 11.1874 9.4275 5.39112 12.0918 6.70693 numMergedOcc 0
39 mol 167 unq 0 iso 0 dist 6.53913 4.88159 5.59806 12.4033 9.87651 8.66436 12.4675 7.87971 10.7297 7.20495 numMergedOcc 0
40 mol 167 unq 1 iso 0 dist 6.53913 4.88159 5.59806 12.4033 9.87651 8.66436 11.4273 12.0033 11.298 9.2289 numMergedOcc 0
41 mol 167 unq 2 iso 0 dist 6.53913 4.88159 5.59806 12.4033 9.87651 8.66436 12.8389 11.6011 11.5835 7.02548 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 8.14754 13.7042 9.2053 7.43271 5.81334 6.51315 11.7375 4.54188 6.32334 6.8692 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 8.95071 9.48296 5.66569 12.8358 6.27581 4.15973 14.8517 10.5774 11.2893 9.3206 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 8.95071 5.05085 6.11137 12.8358 6.27581 9.01197 14.8517 10.5774 14.0625 9.3206 numMergedOcc 0
45 mol 239 unq 0 iso 0 dist 8.82778 12.0443 6.44212 11.4665 6.16342 7.97883 11.7834 10.6736 14.1679 6.73665 numMergedOcc 0
