0 mol 5 unq 0 iso 0 dist 8.34146 4.47188 7.44029 10.4923 4.07788 7.95876 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 7.87072 7.16107 9.97769 9.55181 4.41883 8.111 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.50539 4.68147 5.77745 6.34277 5.8503 7.05196 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.83402 5.03904 8.27137 8.46842 5.59268 4.79873 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 7.19406 6.51519 7.57749 15.974 14.3993 9.9787 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.0101 4.05111 6.63973 11.415 9.42791 8.23026 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 5.8409 10.8182 7.32064 8.40871 7.17843 6.85523 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 5.8409 10.8182 7.32064 15.4151 13.1649 8.65848 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 5.8409 3.48199 5.85007 8.40871 7.17843 5.77326 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 8.13368 10.8182 4.62314 8.40871 4.4651 6.85523 numMergedOcc 0
10 mol 78 unq 4 iso 0 dist 8.13368 10.8182 4.62314 15.4151 9.31889 8.65848 numMergedOcc 0
11 mol 78 unq 5 iso 0 dist 8.13368 3.48199 6.35234 8.40871 4.4651 5.77326 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 4.3761 4.54306 5.33961 10.5303 11.1668 9.64383 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 4.3761 4.54306 5.33961 11.233 12.7318 7.54889 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 4.3761 4.54306 5.33961 9.48388 12.3835 7.78931 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 6.31509 12.8104 8.3505 10.7852 4.75138 5.10496 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 6.31509 12.8104 8.3505 12.036 10.4417 5.92242 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 6.31509 12.8104 8.3505 15.5963 11.3628 5.2571 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 6.31509 12.8104 8.3505 19.1505 13.9599 8.7497 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 6.31509 5.43272 7.34638 12.036 10.4417 7.02507 numMergedOcc 0
20 mol 98 unq 8 iso 0 dist 6.14782 5.43272 6.0995 12.036 9.63267 7.02507 numMergedOcc 0
21 mol 98 unq 9 iso 0 dist 5.84583 4.54306 5.08983 10.5303 10.1978 9.64383 numMergedOcc 0
22 mol 98 unq 10 iso 0 dist 5.84583 4.54306 5.08983 11.233 7.1452 7.54889 numMergedOcc 0
23 mol 98 unq 11 iso 0 dist 5.84583 4.54306 5.08983 9.48388 4.96747 7.78931 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 6.28645 8.50179 6.12348 12.4488 14.0364 8.80934 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 4.76012 5.75588 6.53559 6.1421 6.43966 5.51197 numMergedOcc 0
26 mol 129 unq 1 iso 0 dist 4.76012 4.18263 7.90844 6.1421 6.43966 8.86944 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 9.87066 10.2997 9.10434 14.5984 5.6098 9.27976 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 7.56833 7.08715 9.10434 7.49404 5.6098 9.27976 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 8.22824 4.78701 8.78303 12.199 11.9294 9.33094 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.22824 4.78701 8.78303 9.11672 6.36794 8.69531 numMergedOcc 0
31 mol 144 unq 0 iso 0 dist 9.87298 4.9743 7.46026 10.0633 4.6812 7.64028 numMergedOcc 0
32 mol 144 unq 1 iso 0 dist 6.21815 6.01619 7.46026 9.6954 4.6812 7.64028 numMergedOcc 0
33 mol 146 unq 0 iso 0 dist 9.5348 8.19476 6.93154 13.6758 5.44003 9.04757 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 5.39622 8.53889 6.52441 15.4026 11.7795 7.2793 numMergedOcc 0
35 mol 197 unq 0 iso 0 dist 8.05227 4.26432 6.0033 7.18765 7.56497 9.10817 numMergedOcc 0
36 mol 197 unq 1 iso 0 dist 8.05227 4.26432 6.0033 7.41091 5.66137 6.86828 numMergedOcc 0
37 mol 225 unq 0 iso 0 dist 7.11262 4.57447 7.25438 11.8089 9.20928 8.14831 numMergedOcc 0
38 mol 233 unq 0 iso 0 dist 7.09902 8.26863 7.1229 12.4566 6.52848 8.51625 numMergedOcc 0
39 mol 233 unq 1 iso 0 dist 8.73545 7.83075 7.1229 4.94074 6.52848 8.51625 numMergedOcc 0
40 mol 233 unq 2 iso 0 dist 8.14581 7.83075 9.55705 4.94074 5.51 8.51625 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 7.45786 8.57494 7.63381 14.1009 9.86326 6.73665 numMergedOcc 0
42 mol 239 unq 1 iso 0 dist 7.45786 8.57494 7.63381 11.0354 5.82779 9.34438 numMergedOcc 0
43 mol 239 unq 2 iso 0 dist 7.45786 8.57494 7.63381 17.2289 13.5224 9.35949 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 5.03174 4.66338 7.19658 8.43682 5.21164 9.19754 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 5.03174 4.66338 7.19658 6.20796 6.12009 8.29262 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 7.22743 10.3972 7.19658 10.6405 5.21164 9.19754 numMergedOcc 0
47 mol 264 unq 3 iso 0 dist 7.22743 10.3972 7.19658 7.73693 6.12009 8.29262 numMergedOcc 0
48 mol 270 unq 0 iso 0 dist 4.60602 4.65147 6.46935 9.02113 5.00269 9.31275 numMergedOcc 0
49 mol 270 unq 1 iso 0 dist 4.60602 7.14116 5.98384 9.02113 5.00269 8.56508 numMergedOcc 0
50 mol 270 unq 2 iso 0 dist 6.62637 7.68003 6.46935 11.1647 5.00269 9.31275 numMergedOcc 0
51 mol 270 unq 3 iso 0 dist 6.62637 5.44817 5.98384 11.1647 5.00269 8.56508 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 6.84909 4.77692 5.72473 6.87804 8.04474 7.20674 numMergedOcc 0
