0 mol 8 unq 0 iso 0 dist 6.56356 5.7531 8.83742 7.03958 4.1204 7.27018 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.01112 7.17012 8.83742 7.18019 4.1204 7.27018 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.62333 6.31881 8.83742 8.44009 4.1204 7.27018 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.12845 5.30734 6.38243 10.3756 4.76998 9.5053 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 5.94756 6.18811 7.72462 9.49841 4.06745 8.80014 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.97769 7.40296 6.87028 12.9819 5.45005 6.62229 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.32706 5.89202 6.87028 11.3538 5.45005 6.62229 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.08221 6.37648 6.87028 9.86039 5.45005 6.62229 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.8703 8.53692 8.05514 14.5577 10.3533 6.40693 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 7.39665 15.0902 8.05514 17.3619 10.3533 6.40693 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 9.22631 9.57225 5.71763 14.4787 5.43515 7.62611 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.10496 7.32662 8.75597 6.7117 3.94967 8.43352 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.92242 13.4985 8.75597 9.42961 3.94967 8.43352 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 5.2571 6.934 8.75597 4.47349 3.94967 8.43352 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 8.7497 7.17433 8.75597 5.65185 3.94967 8.43352 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 5.7144 5.6074 7.59156 9.39063 4.08391 9.17466 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.95212 13.52 9.57341 9.87889 5.37917 8.8562 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.95212 13.52 9.57341 18.192 15.7711 7.91683 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 6.99446 4.99056 9.57341 9.11344 5.37917 8.8562 numMergedOcc 0
19 mol 119 unq 3 iso 0 dist 6.99446 4.99056 9.57341 12.7677 15.7711 7.91683 numMergedOcc 0
20 mol 119 unq 4 iso 0 dist 7.64052 3.78311 9.57341 6.52773 5.37917 8.8562 numMergedOcc 0
21 mol 119 unq 5 iso 0 dist 7.64052 3.78311 9.57341 9.23858 15.7711 7.91683 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 9.98797 4.28797 8.24966 7.90048 6.39648 9.13191 numMergedOcc 0
23 mol 130 unq 1 iso 0 dist 9.98797 4.28797 8.24966 9.99802 10.3272 6.95405 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 6.42772 11.7434 6.99345 12.1214 11.5269 9.30061 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 9.33094 9.4027 5.11043 6.23142 6.93712 9.30061 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 9.1998 5.12325 6.99345 9.94764 11.5269 9.30061 numMergedOcc 0
27 mol 134 unq 3 iso 0 dist 8.69531 5.12325 5.11043 9.94764 6.93712 9.30061 numMergedOcc 0
28 mol 134 unq 4 iso 0 dist 5.35237 6.02179 8.48313 15.049 16.1483 9.30061 numMergedOcc 0
29 mol 134 unq 5 iso 0 dist 8.70621 6.02179 6.99345 15.049 11.5269 9.30061 numMergedOcc 0
30 mol 134 unq 6 iso 0 dist 7.99477 10.9332 8.48313 17.8189 16.1483 9.30061 numMergedOcc 0
31 mol 143 unq 0 iso 0 dist 5.40637 10.8441 8.68663 9.14266 4.06908 6.95372 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 6.41689 5.81236 6.09987 6.46461 3.87512 5.06613 numMergedOcc 0
33 mol 152 unq 1 iso 0 dist 9.07758 6.8161 6.09987 10.5288 3.87512 5.06613 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 6.52816 5.54129 7.53395 9.53629 7.25932 5.95375 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 6.74196 6.42798 7.97027 9.07471 4.67663 9.08955 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 6.74196 6.42798 7.97027 9.8062 4.00869 8.88664 numMergedOcc 0
37 mol 222 unq 2 iso 0 dist 6.74196 6.42798 7.97027 10.6381 6.23984 7.16819 numMergedOcc 0
38 mol 222 unq 3 iso 0 dist 8.36842 6.42798 4.9876 9.07471 6.37382 9.08955 numMergedOcc 0
39 mol 222 unq 4 iso 0 dist 8.36842 6.42798 4.9876 9.8062 9.60662 8.88664 numMergedOcc 0
40 mol 222 unq 5 iso 0 dist 8.36842 6.42798 4.9876 10.6381 7.13962 7.16819 numMergedOcc 0
41 mol 225 unq 0 iso 0 dist 8.1945 16.6392 9.87668 24.8414 18.9885 9.23935 numMergedOcc 0
42 mol 225 unq 1 iso 0 dist 8.1945 16.6392 9.87668 24.3275 17.5145 7.77552 numMergedOcc 0
43 mol 225 unq 2 iso 0 dist 6.50998 4.76151 9.87668 13.45 18.9885 9.23935 numMergedOcc 0
44 mol 225 unq 3 iso 0 dist 6.50998 4.76151 9.87668 11.7017 17.5145 7.77552 numMergedOcc 0
45 mol 225 unq 4 iso 0 dist 9.09424 4.76151 8.42121 13.45 16.1303 9.23935 numMergedOcc 0
46 mol 225 unq 5 iso 0 dist 9.09424 4.76151 8.42121 11.7017 14.5337 7.77552 numMergedOcc 0
47 mol 225 unq 6 iso 0 dist 8.14831 4.76151 4.98402 13.45 7.96454 9.23935 numMergedOcc 0
48 mol 225 unq 7 iso 0 dist 8.14831 4.76151 4.98402 11.7017 4.45116 7.77552 numMergedOcc 0
49 mol 264 unq 0 iso 0 dist 5.90924 4.48907 7.14086 11.0482 13.0036 7.21655 numMergedOcc 0
50 mol 264 unq 1 iso 0 dist 5.90058 9.09085 7.14086 13.0346 13.0036 7.21655 numMergedOcc 0
51 mol 264 unq 2 iso 0 dist 9.58916 10.1591 7.14086 17.025 13.0036 7.21655 numMergedOcc 0
