0 mol 10 unq 0 iso 0 dist 9.1125 9.6309 7.54307 4.55975 8.03458 11.7194 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.1125 9.6309 7.54307 11.8229 8.2106 9.9373 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 9.1125 9.23414 4.37568 4.55975 8.03458 9.97671 numMergedOcc 0
3 mol 10 unq 3 iso 0 dist 9.1125 9.23414 4.37568 11.8229 8.2106 7.83087 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.05728 8.572 9.60669 9.57046 9.40644 15.6996 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.05728 8.572 9.60669 4.91237 5.35252 10.71 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 9.65672 6.35779 7.31044 14.3275 9.11512 15.4032 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.34804 8.4702 8.43533 10.7182 8.27009 15.7437 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 8.34804 8.4702 8.43533 5.66613 5.80736 9.10001 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 5.37819 8.14427 5.63423 12.1737 8.15664 11.8241 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 8.44207 7.80019 14.4323 4.95662 8.68674 10.6842 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 7.22737 6.67863 4.4529 6.01775 7.1859 7.33426 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 7.15869 8.30974 6.41552 8.29205 9.92281 11.3617 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 5.52891 8.94636 3.75302 6.87376 5.83719 8.95465 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 8.40718 8.29256 13.1706 12.4189 6.20044 18.3655 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 8.40718 8.29256 13.1706 12.8445 8.41232 20.139 numMergedOcc 0
16 mol 204 unq 2 iso 0 dist 8.40718 7.8274 5.79978 12.4189 6.20044 10.9061 numMergedOcc 0
17 mol 204 unq 3 iso 0 dist 8.40718 7.8274 5.79978 12.8445 8.41232 14.0386 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 7.55333 9.16671 10.9814 6.67537 5.86839 9.95859 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 5.43868 9.7302 7.10919 9.96947 8.51703 14.4713 numMergedOcc 0
20 mol 250 unq 1 iso 0 dist 9.80833 9.7302 10.5301 9.96947 5.07895 14.4713 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 9.17911 6.61322 13.3447 15.4705 8.10903 19.4795 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 9.17911 6.61322 13.3447 13.8539 7.25618 19.2493 numMergedOcc 0
23 mol 258 unq 2 iso 0 dist 9.46746 8.77675 9.00563 3.74614 9.48772 10.163 numMergedOcc 0
24 mol 258 unq 3 iso 0 dist 9.46746 8.77675 9.00563 10.7968 5.53369 13.2467 numMergedOcc 0
25 mol 258 unq 4 iso 0 dist 9.46746 8.77675 9.00563 12.9568 8.57274 12.3794 numMergedOcc 0
26 mol 268 unq 0 iso 0 dist 8.43164 8.6577 5.39453 6.35006 5.94741 5.49906 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 6.70414 5.11998 5.11865 12.5633 8.15119 9.07744 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 6.70414 5.79925 8.46455 12.5633 8.15119 12.4905 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 5.76796 6.73396 4.57431 11.2606 7.872 12.2776 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 5.76796 6.73396 4.57431 8.7778 6.32984 9.58965 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 6.76192 9.40443 13.2202 8.37461 6.96774 16.5524 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 6.76192 9.40443 13.2202 4.03583 7.14859 9.67507 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 6.76192 9.40443 13.2202 8.37461 6.96774 16.5524 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 6.76192 9.40443 13.2202 4.03583 7.14859 9.67507 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 6.76192 9.40443 13.2202 8.37461 6.96774 16.5524 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 6.76192 9.40443 13.2202 4.03583 7.14859 9.67507 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 5.71656 7.48987 5.13965 8.43044 9.22572 8.83359 numMergedOcc 0
38 mol 294 unq 1 iso 0 dist 5.71656 8.35637 7.32602 8.43044 9.22572 15.6746 numMergedOcc 0
