0 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 7.11305 6.38243 4.76998 10.2542 5.30734 10.3756 9.12845 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.27383 5.85698 6.62229 4.00553 6.87028 5.45005 10.3988 7.40296 12.9819 9.97769 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.27383 5.85698 6.62229 4.00553 6.87028 5.45005 11.221 5.89202 11.3538 9.32706 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.27383 5.85698 6.62229 4.00553 6.87028 5.45005 6.64012 6.37648 9.86039 9.08221 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.81831 4.4022 7.62611 9.34182 5.71763 5.43515 17.8114 9.57225 14.4787 9.22631 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 9.12858 8.96224 7.62611 12.0103 5.71763 5.43515 18.1813 9.57225 14.4787 9.22631 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 9.4523 10.3849 7.62611 12.9351 5.71763 5.43515 18.6831 9.57225 14.4787 9.22631 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 3.9764 8.75597 3.94967 5.08437 7.32662 6.7117 5.10496 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.26086 7.06961 8.43352 3.9764 8.75597 3.94967 6.48948 13.4985 9.42961 5.92242 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.26086 7.06961 8.43352 3.9764 8.75597 3.94967 6.10456 6.934 4.47349 5.2571 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 7.26086 7.06961 8.43352 3.9764 8.75597 3.94967 10.1136 7.17433 5.65185 8.7497 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.77116 7.20179 8.8562 9.68677 9.57341 5.37917 16.4353 13.52 9.87889 8.95212 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 7.77116 7.20179 8.8562 9.68677 9.57341 5.37917 10.3704 4.99056 9.11344 6.99446 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 7.77116 7.20179 8.8562 9.68677 9.57341 5.37917 8.73993 3.78311 6.52773 7.64052 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 7.77116 9.89358 7.91683 9.68677 9.57341 15.7711 16.4353 13.52 18.192 8.95212 numMergedOcc 0
15 mol 119 unq 4 iso 0 dist 7.77116 9.89358 7.91683 9.68677 9.57341 15.7711 10.3704 4.99056 12.7677 6.99446 numMergedOcc 0
16 mol 119 unq 5 iso 0 dist 7.77116 9.89358 7.91683 9.68677 9.57341 15.7711 8.73993 3.78311 9.23858 7.64052 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 9.28592 8.01932 9.13191 8.14075 8.24966 6.39648 10.3889 4.28797 7.90048 9.98797 numMergedOcc 0
18 mol 130 unq 1 iso 0 dist 9.28592 6.75397 6.95405 8.14075 8.24966 10.3272 10.3889 4.28797 9.99802 9.98797 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 7.36779 7.1797 9.30061 14.2036 8.48313 16.1483 12.9594 6.02179 15.049 5.35237 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 7.36779 7.1797 9.30061 14.2036 8.48313 16.1483 18.1911 10.9332 17.8189 7.99477 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 7.36779 7.1797 9.30061 10.092 6.99345 11.5269 13.9286 11.7434 12.1214 6.42772 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 7.36779 7.1797 9.30061 10.092 6.99345 11.5269 11.3835 5.12325 9.94764 9.1998 numMergedOcc 0
23 mol 134 unq 4 iso 0 dist 7.36779 7.1797 9.30061 10.092 6.99345 11.5269 12.9594 6.02179 15.049 8.70621 numMergedOcc 0
24 mol 134 unq 5 iso 0 dist 7.36779 7.1797 9.30061 4.46337 5.11043 6.93712 11.7385 9.4027 6.23142 9.33094 numMergedOcc 0
25 mol 134 unq 6 iso 0 dist 7.36779 7.1797 9.30061 4.46337 5.11043 6.93712 11.3835 5.12325 9.94764 8.69531 numMergedOcc 0
26 mol 134 unq 7 iso 0 dist 8.20836 4.57832 9.30061 16.4114 8.48313 16.1483 14.0375 6.02179 15.049 5.35237 numMergedOcc 0
27 mol 134 unq 8 iso 0 dist 8.20836 4.57832 9.30061 16.4114 8.48313 16.1483 17.9288 10.9332 17.8189 7.99477 numMergedOcc 0
28 mol 134 unq 9 iso 0 dist 8.20836 4.57832 9.30061 12.8086 6.99345 11.5269 15.281 11.7434 12.1214 6.42772 numMergedOcc 0
29 mol 134 unq 10 iso 0 dist 8.20836 4.57832 9.30061 12.8086 6.99345 11.5269 9.86662 5.12325 9.94764 9.1998 numMergedOcc 0
30 mol 134 unq 11 iso 0 dist 8.20836 4.57832 9.30061 12.8086 6.99345 11.5269 14.0375 6.02179 15.049 8.70621 numMergedOcc 0
31 mol 134 unq 12 iso 0 dist 8.20836 4.57832 9.30061 7.41373 5.11043 6.93712 8.94367 9.4027 6.23142 9.33094 numMergedOcc 0
32 mol 134 unq 13 iso 0 dist 8.20836 4.57832 9.30061 7.41373 5.11043 6.93712 9.86662 5.12325 9.94764 8.69531 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 9.2581 5.89689 9.08955 9.01393 7.97027 4.67663 12.6531 6.42798 9.07471 6.74196 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 9.2581 5.89689 9.08955 5.64455 4.9876 6.37382 12.6531 6.42798 9.07471 8.36842 numMergedOcc 0
35 mol 222 unq 2 iso 0 dist 9.2581 8.92719 8.88664 9.01393 7.97027 4.00869 12.6531 6.42798 9.8062 6.74196 numMergedOcc 0
36 mol 222 unq 3 iso 0 dist 9.2581 8.92719 8.88664 5.64455 4.9876 9.60662 12.6531 6.42798 9.8062 8.36842 numMergedOcc 0
37 mol 222 unq 4 iso 0 dist 9.2581 5.82526 7.16819 9.01393 7.97027 6.23984 12.6531 6.42798 10.6381 6.74196 numMergedOcc 0
38 mol 222 unq 5 iso 0 dist 9.2581 5.82526 7.16819 5.64455 4.9876 7.13962 12.6531 6.42798 10.6381 8.36842 numMergedOcc 0
39 mol 222 unq 6 iso 0 dist 9.62632 10.6944 9.08955 13.3586 7.97027 4.67663 11.8674 6.42798 9.07471 6.74196 numMergedOcc 0
40 mol 222 unq 7 iso 0 dist 9.62632 10.6944 9.08955 5.9478 4.9876 6.37382 11.8674 6.42798 9.07471 8.36842 numMergedOcc 0
41 mol 222 unq 8 iso 0 dist 9.62632 15.4372 8.88664 13.3586 7.97027 4.00869 11.8674 6.42798 9.8062 6.74196 numMergedOcc 0
42 mol 222 unq 9 iso 0 dist 9.62632 15.4372 8.88664 5.9478 4.9876 9.60662 11.8674 6.42798 9.8062 8.36842 numMergedOcc 0
43 mol 222 unq 10 iso 0 dist 9.62632 12.9388 7.16819 13.3586 7.97027 6.23984 11.8674 6.42798 10.6381 6.74196 numMergedOcc 0
44 mol 222 unq 11 iso 0 dist 9.62632 12.9388 7.16819 5.9478 4.9876 7.13962 11.8674 6.42798 10.6381 8.36842 numMergedOcc 0
45 mol 222 unq 12 iso 0 dist 7.862 7.75466 9.08955 8.84507 7.97027 4.67663 6.00706 6.42798 9.07471 6.74196 numMergedOcc 0
46 mol 222 unq 13 iso 0 dist 7.862 7.75466 9.08955 6.02502 4.9876 6.37382 6.00706 6.42798 9.07471 8.36842 numMergedOcc 0
47 mol 222 unq 14 iso 0 dist 7.862 12.1951 8.88664 8.84507 7.97027 4.00869 6.00706 6.42798 9.8062 6.74196 numMergedOcc 0
48 mol 222 unq 15 iso 0 dist 7.862 12.1951 8.88664 6.02502 4.9876 9.60662 6.00706 6.42798 9.8062 8.36842 numMergedOcc 0
49 mol 222 unq 16 iso 0 dist 7.862 11.6161 7.16819 8.84507 7.97027 6.23984 6.00706 6.42798 10.6381 6.74196 numMergedOcc 0
50 mol 222 unq 17 iso 0 dist 7.862 11.6161 7.16819 6.02502 4.9876 7.13962 6.00706 6.42798 10.6381 8.36842 numMergedOcc 0
51 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 17.3148 9.87668 18.9885 22.4468 16.6392 24.8414 8.1945 numMergedOcc 0
52 mol 225 unq 1 iso 0 dist 8.87609 5.76292 9.23935 17.3148 9.87668 18.9885 13.3684 4.76151 13.45 6.50998 numMergedOcc 0
53 mol 225 unq 2 iso 0 dist 8.87609 5.76292 9.23935 13.3773 8.42121 16.1303 13.3684 4.76151 13.45 9.09424 numMergedOcc 0
54 mol 225 unq 3 iso 0 dist 8.87609 5.76292 9.23935 9.9875 4.98402 7.96454 13.3684 4.76151 13.45 8.14831 numMergedOcc 0
55 mol 225 unq 4 iso 0 dist 8.87609 8.21235 7.77552 17.3148 9.87668 17.5145 22.4468 16.6392 24.3275 8.1945 numMergedOcc 0
56 mol 225 unq 5 iso 0 dist 8.87609 8.21235 7.77552 17.3148 9.87668 17.5145 13.3684 4.76151 11.7017 6.50998 numMergedOcc 0
57 mol 225 unq 6 iso 0 dist 8.87609 8.21235 7.77552 13.3773 8.42121 14.5337 13.3684 4.76151 11.7017 9.09424 numMergedOcc 0
58 mol 225 unq 7 iso 0 dist 8.87609 8.21235 7.77552 9.9875 4.98402 4.45116 13.3684 4.76151 11.7017 8.14831 numMergedOcc 0
59 mol 264 unq 0 iso 0 dist 6.04162 6.26382 7.21655 11.4167 7.14086 13.0036 10.4298 4.48907 11.0482 5.90924 numMergedOcc 0
60 mol 264 unq 1 iso 0 dist 6.04162 6.26382 7.21655 11.4167 7.14086 13.0036 14.2152 9.09085 13.0346 5.90058 numMergedOcc 0
61 mol 264 unq 2 iso 0 dist 6.04162 6.26382 7.21655 11.4167 7.14086 13.0036 12.864 10.1591 17.025 9.58916 numMergedOcc 0
62 mol 264 unq 3 iso 0 dist 6.14323 5.24812 7.21655 13.2035 7.14086 13.0036 9.90113 4.48907 11.0482 5.90924 numMergedOcc 0
63 mol 264 unq 4 iso 0 dist 6.14323 5.24812 7.21655 13.2035 7.14086 13.0036 14.5869 9.09085 13.0346 5.90058 numMergedOcc 0
64 mol 264 unq 5 iso 0 dist 6.14323 5.24812 7.21655 13.2035 7.14086 13.0036 13.9815 10.1591 17.025 9.58916 numMergedOcc 0
