0 mol 38 unq 0 iso 0 dist 7.88321 5.73067 6.31521 5.79134 12.2513 7.50293 5.48241 11.6716 9.91611 5.79773 numMergedOcc 0
1 mol 38 unq 0 iso 1 dist 7.88321 5.73067 6.31521 5.48241 11.6716 9.91611 5.79134 12.2513 7.50293 5.79773 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 10.7219 14.4402 9.5589 6.76462 10.5929 6.83299 5.08001 numMergedOcc 0
3 mol 54 unq 0 iso 1 dist 8.34361 5.97635 5.65405 6.76462 10.5929 6.83299 10.7219 14.4402 9.5589 5.08001 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 10.7219 14.4402 9.5589 13.2619 6.54183 8.10861 16.3192 numMergedOcc 0
5 mol 54 unq 1 iso 1 dist 8.34361 5.97635 5.65405 13.2619 6.54183 8.10861 10.7219 14.4402 9.5589 16.3192 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 6.76462 10.5929 6.83299 13.2619 6.54183 8.10861 14.2075 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 8.34361 5.97635 5.65405 13.2619 6.54183 8.10861 6.76462 10.5929 6.83299 14.2075 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 6.88489 12.9146 5.08437 9.63267 17.6559 6.48948 9.51923 numMergedOcc 0
9 mol 98 unq 0 iso 1 dist 8.18252 4.50572 11.8887 9.63267 17.6559 6.48948 6.88489 12.9146 5.08437 9.51923 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.18252 4.50572 11.8887 6.88489 12.9146 5.08437 9.82583 14.9393 6.10456 8.40073 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 8.18252 4.50572 11.8887 9.82583 14.9393 6.10456 6.88489 12.9146 5.08437 8.40073 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.18252 4.50572 11.8887 9.63267 17.6559 6.48948 9.82583 14.9393 6.10456 9.42358 numMergedOcc 0
13 mol 98 unq 1 iso 1 dist 8.18252 4.50572 11.8887 9.82583 14.9393 6.10456 9.63267 17.6559 6.48948 9.42358 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.28645 7.15985 9.99381 6.68714 15.24 9.60462 6.71889 14.459 7.45389 7.05226 numMergedOcc 0
15 mol 112 unq 0 iso 1 dist 9.28645 7.15985 9.99381 6.71889 14.459 7.45389 6.68714 15.24 9.60462 7.05226 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 5.87592 4.98864 5.19652 6.59772 8.97043 6.11741 10.9437 12.9647 7.88312 7.69052 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 5.87592 4.98864 5.19652 10.9437 12.9647 7.88312 6.59772 8.97043 6.11741 7.69052 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 8.37388 7.95871 5.19652 4.86477 8.97043 6.11741 12.0354 12.9647 7.88312 7.69052 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 8.37388 7.95871 5.19652 12.0354 12.9647 7.88312 4.86477 8.97043 6.11741 7.69052 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 4.3158 9.79901 7.81386 12.9554 13.7928 7.63312 8.85576 numMergedOcc 0
21 mol 181 unq 0 iso 1 dist 9.14877 9.84952 7.07865 12.9554 13.7928 7.63312 4.3158 9.79901 7.81386 8.85576 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.18021 9.84952 13.9526 4.3158 11.2136 7.81386 12.9554 18.7611 7.63312 8.85576 numMergedOcc 0
23 mol 181 unq 1 iso 1 dist 8.18021 9.84952 13.9526 12.9554 18.7611 7.63312 4.3158 11.2136 7.81386 8.85576 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 11.7583 13.6328 9.65138 4.98764 11.6154 7.14453 9.10746 numMergedOcc 0
25 mol 214 unq 0 iso 1 dist 7.71569 5.36829 5.68711 4.98764 11.6154 7.14453 11.7583 13.6328 9.65138 9.10746 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 7.71569 5.36829 5.68711 11.7583 13.6328 9.65138 12.3481 11.5105 8.85478 4.40923 numMergedOcc 0
27 mol 214 unq 1 iso 1 dist 7.71569 5.36829 5.68711 12.3481 11.5105 8.85478 11.7583 13.6328 9.65138 4.40923 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 7.71569 5.36829 5.68711 4.98764 11.6154 7.14453 12.3481 11.5105 8.85478 11.3796 numMergedOcc 0
29 mol 214 unq 1 iso 1 dist 7.71569 5.36829 5.68711 12.3481 11.5105 8.85478 4.98764 11.6154 7.14453 11.3796 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 8.65216 12.1289 8.22528 10.7439 15.5492 7.03423 5.57838 numMergedOcc 0
31 mol 229 unq 0 iso 1 dist 9.33775 8.6537 10.8091 10.7439 15.5492 7.03423 8.65216 12.1289 8.22528 5.57838 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 6.48867 10.7821 6.60405 7.52881 8.21585 6.42289 7.26417 numMergedOcc 0
33 mol 258 unq 0 iso 1 dist 6.41167 5.73834 5.13233 7.52881 8.21585 6.42289 6.48867 10.7821 6.60405 7.26417 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 5.16838 5.90645 5.20592 4.62072 5.75874 8.53687 10.4985 10.9903 8.13497 10.582 numMergedOcc 0
35 mol 259 unq 0 iso 1 dist 5.16838 5.90645 5.20592 10.4985 10.9903 8.13497 4.62072 5.75874 8.53687 10.582 numMergedOcc 0
