0 mol 26 unq 0 iso 0 dist 8.42581 11.553 6.74848 5.11733 7.90721 10.0347 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.95778 6.39184 8.80014 4.51883 7.72462 4.06745 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.80104 7.66647 6.40693 11.8533 8.05514 10.3533 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 7.85041 6.957 7.62611 12.1673 7.8435 14.9656 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 7.85041 6.957 7.62611 7.30779 5.99269 11.5397 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 7.85041 6.957 7.62611 9.18194 5.71763 5.43515 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.11094 6.76585 9.17466 4.81369 7.59156 4.08391 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 6.82089 6.08911 9.13191 4.02212 8.24966 6.39648 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 6.82089 11.562 6.95405 4.02212 8.24966 10.3272 numMergedOcc 0
9 mol 130 unq 2 iso 0 dist 5.38314 10.0581 9.13191 5.46642 8.24966 6.39648 numMergedOcc 0
10 mol 130 unq 3 iso 0 dist 5.38314 7.20197 6.95405 5.46642 8.24966 10.3272 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.39683 10.8622 5.44303 8.34485 6.78801 6.11089 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 9.39683 12.6448 8.50562 8.34485 6.78801 10.9311 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 5.1101 10.7872 7.25644 11.4653 9.43989 3.88427 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 7.01133 7.66774 7.25644 7.68412 9.43989 3.88427 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 7.35329 6.93752 5.8628 5.80353 5.48379 4.09908 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 6.39981 5.42969 6.76055 9.88872 6.11331 11.3715 numMergedOcc 0
17 mol 158 unq 2 iso 0 dist 6.39981 4.77562 9.36343 9.88872 6.11331 14.1217 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 8.89822 11.9845 8.2169 6.81586 7.88014 9.19427 numMergedOcc 0
19 mol 182 unq 1 iso 0 dist 8.89822 12.8718 8.52103 6.81586 7.88014 7.17714 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 7.94153 4.35079 4.5271 5.93479 7.04815 3.87169 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 7.94153 4.35079 4.5271 5.86306 6.07389 5.65634 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 7.94153 5.34643 7.02575 5.93479 7.04815 8.65911 numMergedOcc 0
23 mol 186 unq 3 iso 0 dist 7.94153 5.34643 7.02575 5.86306 6.07389 3.87082 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 8.76185 10.8409 7.8141 14.0247 7.39445 9.96737 numMergedOcc 0
25 mol 193 unq 1 iso 0 dist 8.76185 5.97706 8.43187 14.0247 7.39445 11.3625 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 9.77862 5.63279 5.68348 8.31541 5.53324 4.002 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 9.77862 5.63279 5.68348 6.72001 6.72182 7.41775 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 9.83885 11.8917 5.95375 13.4094 7.53395 7.25932 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 6.4829 5.96222 5.57779 15.1464 9.14831 12.2656 numMergedOcc 0
30 mol 210 unq 1 iso 0 dist 6.4829 10.1011 7.05649 15.1464 9.14831 7.76842 numMergedOcc 0
31 mol 210 unq 2 iso 0 dist 6.4829 12.5026 6.78579 15.1464 9.14831 3.93305 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 7.29542 9.51752 9.23935 13.317 9.87668 18.9885 numMergedOcc 0
33 mol 225 unq 1 iso 0 dist 7.29542 9.51752 9.23935 10.43 8.42121 16.1303 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 7.29542 9.51752 9.23935 6.24324 7.8744 3.94409 numMergedOcc 0
35 mol 225 unq 3 iso 0 dist 7.29542 9.51752 9.23935 10.7885 4.98402 7.96454 numMergedOcc 0
36 mol 225 unq 4 iso 0 dist 7.29542 10.9596 7.77552 13.317 9.87668 17.5145 numMergedOcc 0
37 mol 225 unq 5 iso 0 dist 7.29542 10.9596 7.77552 10.43 8.42121 14.5337 numMergedOcc 0
38 mol 225 unq 6 iso 0 dist 7.29542 10.9596 7.77552 6.24324 7.8744 6.88465 numMergedOcc 0
39 mol 225 unq 7 iso 0 dist 7.29542 10.9596 7.77552 10.7885 4.98402 4.45116 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 9.06084 6.56416 6.00582 10.72 8.52295 5.96499 numMergedOcc 0
41 mol 250 unq 0 iso 0 dist 9.03319 4.45194 5.93798 5.66205 6.93875 6.40609 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 9.42738 10.6815 7.21655 9.04569 7.14086 13.0036 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 6.98048 5.42668 8.13034 12.7895 9.30437 16.0925 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 8.23056 6.29016 9.30921 6.25207 5.8304 11.0079 numMergedOcc 0
45 mol 279 unq 1 iso 0 dist 8.23056 6.29016 9.30921 10.8722 7.37478 9.53157 numMergedOcc 0
46 mol 284 unq 0 iso 0 dist 8.27054 5.39591 9.63007 9.97692 9.07503 14.7394 numMergedOcc 0
47 mol 284 unq 1 iso 0 dist 8.27054 5.39591 9.63007 10.6148 7.63256 14.5604 numMergedOcc 0
48 mol 285 unq 0 iso 0 dist 5.80415 7.87216 8.16947 4.3249 8.94601 8.85284 numMergedOcc 0
49 mol 285 unq 1 iso 0 dist 5.80415 4.39689 6.74142 4.3249 8.94601 6.3633 numMergedOcc 0
