0 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 5.59847 4.10106 6.54358 7.4835 5.95165 3.77561 6.50001 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.40392 8.59466 7.36323 11.0243 5.50396 7.27472 10.9024 9.54519 5.80023 6.36381 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 7.90775 4.16047 9.03572 5.96246 8.28518 8.57395 4.84407 12.5791 5.69671 9.70292 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 7.90775 4.16047 9.03572 10.1197 15.917 9.85409 4.84407 12.5791 5.69671 9.59704 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 11.8912 3.9764 5.10496 13.0144 5.9747 4.75138 8.3505 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 11.8912 3.9764 5.92242 13.0144 5.9747 10.4417 8.3505 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 9.83528 15.1765 6.48948 15.0815 7.03983 7.02507 13.0144 5.9747 10.4417 7.34638 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 9.83528 15.1765 6.48948 15.0815 7.03983 7.02507 10.11 4.50572 9.63267 6.0995 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 9.83528 8.06684 6.10456 15.2524 10.4782 7.54889 20.2116 14.4342 12.7318 5.33961 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 9.83528 8.06684 6.10456 15.2524 10.4782 7.54889 22.6678 16.5524 14.676 9.29816 numMergedOcc 0
10 mol 98 unq 6 iso 0 dist 9.83528 8.06684 6.10456 15.2524 10.4782 7.54889 13.457 12.3884 7.1452 5.08983 numMergedOcc 0
11 mol 98 unq 7 iso 0 dist 9.83528 8.06684 6.10456 11.8912 3.9764 5.2571 13.0144 5.9747 11.3628 8.3505 numMergedOcc 0
12 mol 98 unq 8 iso 0 dist 7.54969 11.7493 5.08437 8.79016 3.9764 5.10496 12.9828 5.9747 4.75138 8.3505 numMergedOcc 0
13 mol 98 unq 9 iso 0 dist 7.54969 10.3366 6.48948 8.79016 3.9764 5.92242 12.9828 5.9747 10.4417 8.3505 numMergedOcc 0
14 mol 98 unq 10 iso 0 dist 7.54969 10.3366 6.48948 12.3426 7.03983 7.02507 12.9828 5.9747 10.4417 7.34638 numMergedOcc 0
15 mol 98 unq 11 iso 0 dist 7.54969 10.3366 6.48948 12.3426 7.03983 7.02507 9.82501 4.50572 9.63267 6.0995 numMergedOcc 0
16 mol 98 unq 12 iso 0 dist 7.54969 5.15322 6.10456 12.301 10.4782 7.54889 17.5209 14.4342 12.7318 5.33961 numMergedOcc 0
17 mol 98 unq 13 iso 0 dist 7.54969 5.15322 6.10456 12.301 10.4782 7.54889 17.6742 16.5524 14.676 9.29816 numMergedOcc 0
18 mol 98 unq 14 iso 0 dist 7.54969 5.15322 6.10456 12.301 10.4782 7.54889 11.425 12.3884 7.1452 5.08983 numMergedOcc 0
19 mol 98 unq 15 iso 0 dist 7.54969 5.15322 6.10456 8.79016 3.9764 5.2571 12.9828 5.9747 11.3628 8.3505 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 6.62354 5.00433 8.52024 6.24804 11.1103 10.6893 9.46621 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 9.26438 5.68669 8.69985 6.62354 5.00433 8.52024 9.97562 8.3164 11.5656 9.94704 numMergedOcc 0
22 mol 109 unq 2 iso 0 dist 6.43255 6.80429 8.69985 8.00085 5.00433 8.52024 14.8896 11.1103 10.6893 9.46621 numMergedOcc 0
23 mol 109 unq 3 iso 0 dist 6.43255 6.80429 8.69985 8.00085 5.00433 8.52024 13.5611 8.3164 11.5656 9.94704 numMergedOcc 0
24 mol 109 unq 4 iso 0 dist 7.4389 12.3794 8.69985 11.8878 5.00433 8.52024 17.9067 11.1103 10.6893 9.46621 numMergedOcc 0
25 mol 109 unq 5 iso 0 dist 7.4389 12.3794 8.69985 11.8878 5.00433 8.52024 13.6781 8.3164 11.5656 9.94704 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 11.6773 5.70579 8.80934 16.5593 10.783 14.0364 6.12348 numMergedOcc 0
27 mol 113 unq 1 iso 0 dist 9.70016 13.2553 5.86073 11.6773 5.70579 8.80934 11.9996 11.0486 12.1308 7.2672 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 14.395 10.8635 9.33094 19.5674 12.1043 11.9294 8.78303 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 8.84656 16.7911 9.71307 14.395 10.8635 8.69531 19.5674 12.1043 6.36794 8.78303 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 4.9155 10.879 6.49416 14.395 12.3479 9.33094 19.5674 16.0579 11.9294 8.78303 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 8.49987 10.9399 6.49416 14.5869 12.3479 9.33094 21.3103 16.0579 11.9294 8.78303 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 9.42271 7.07625 6.49416 6.14652 12.3479 9.33094 13.5949 16.0579 11.9294 8.78303 numMergedOcc 0
33 mol 167 unq 0 iso 0 dist 6.53913 12.4033 9.87651 11.4273 12.0033 9.2289 17.8551 16.5098 7.91498 8.77904 numMergedOcc 0
34 mol 167 unq 1 iso 0 dist 6.53913 12.4033 9.87651 12.8389 11.6011 7.02548 17.8551 16.5098 7.91498 6.48993 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 11.7375 4.54188 6.8692 13.7042 9.2053 6.51315 6.32334 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 8.97461 11.6506 7.31233 18.2277 10.3162 9.12776 15.578 10.9193 6.45589 7.13727 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 8.97461 11.6506 7.31233 18.2277 10.3162 9.12776 19.9185 14.9617 9.23693 8.56975 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 11.7834 10.6736 6.73665 17.5351 13.2218 9.86326 7.63381 numMergedOcc 0
