0 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 7.3915 7.43529 11.705 8.4069 9.62879 13.3876 10.6335 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 7.67038 8.4674 13.4721 10.1882 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 8.78293 10.9543 6.92532 5.18512 15.1136 5.03957 7.82074 12.6444 6.36455 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 7.67038 8.4674 14.6255 10.1882 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 5.03957 7.82074 8.73972 6.36455 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 7.67038 8.4674 6.20943 10.1882 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 5.03957 7.82074 10.2708 6.36455 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 10.3915 8.4674 14.6255 10.1882 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 5.03957 4.54938 8.23643 6.92532 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 6.864 8.78293 11.4401 6.92532 9.47529 15.1136 7.67038 4.51865 13.4721 10.1882 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 8.23643 12.3093 6.92532 9.47529 6.87842 7.67038 4.51865 14.6255 10.1882 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 7.67038 4.51865 6.20943 10.1882 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 6.06454 5.73693 5.94047 5.24762 7.2846 6.34173 9.44459 numMergedOcc 0
13 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 9.44459 5.73693 5.94047 5.24762 6.43774 7.06308 6.06454 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.27383 6.37648 9.17656 6.47414 9.4099 9.73139 12.5444 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 7.27383 6.37648 10.8775 6.47414 9.4099 6.31428 12.5444 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 7.04044 8.26458 11.2505 5.4148 6.19304 4.65521 8.73253 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 7.04044 8.26458 11.2505 14.9342 8.70481 15.9587 10.3244 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 5.4148 9.96396 8.70133 7.04044 numMergedOcc 0
19 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 13.3558 8.70481 15.9587 10.3244 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 7.1589 6.37974 12.5072 6.9948 7.47541 7.22293 11.2808 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 6.19965 9.47876 11.6116 7.1589 5.08358 12.5072 4.26409 7.95579 13.6587 8.00777 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 6.19965 9.47876 11.6116 7.1589 5.08358 12.5072 6.9948 7.66905 7.22293 11.2808 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 7.47343 8.72704 10.1589 9.00544 14.9392 14.6145 8.8807 6.65086 10.5193 17.8663 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 9.00544 14.9392 14.6145 12.6515 6.56369 15.8984 20.2183 numMergedOcc 0
25 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 9.00544 14.9392 14.6145 13.887 9.30209 14.8726 22.6977 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 7.47343 8.72704 10.1589 7.12017 12.6602 6.00843 8.8807 6.65086 10.5193 12.6061 numMergedOcc 0
27 mol 100 unq 4 iso 0 dist 7.47343 8.72704 10.1589 7.12017 12.6602 6.00843 12.6515 6.56369 15.8984 18.4011 numMergedOcc 0
28 mol 100 unq 5 iso 0 dist 7.47343 8.72704 10.1589 7.12017 12.6602 6.00843 13.887 9.30209 14.8726 17.8494 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 5.83991 8.66155 6.09023 5.72642 6.4497 5.87507 7.69052 9.33865 9.66954 10.9734 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 6.11741 6.99777 10.8292 5.74857 6.08806 6.03931 8.02349 9.33865 13.9977 10.9766 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 6.11741 9.14376 6.12943 5.74857 6.08806 5.99374 8.02349 9.33865 9.65429 10.9766 numMergedOcc 0
32 mol 115 unq 3 iso 0 dist 7.88312 8.66155 4.61908 5.72642 7.3094 5.87507 7.69052 6.11741 9.66954 10.9734 numMergedOcc 0
33 mol 115 unq 4 iso 0 dist 7.88312 6.99777 11.7126 5.74857 7.21418 6.03931 11.5723 7.30858 11.695 10.0289 numMergedOcc 0
34 mol 115 unq 5 iso 0 dist 7.88312 6.99777 11.7126 5.74857 7.21418 6.03931 8.02349 5.83991 13.9977 10.9766 numMergedOcc 0
35 mol 115 unq 6 iso 0 dist 7.88312 9.14376 4.62962 5.74857 7.21418 5.99374 11.5723 7.30858 10.0603 10.0289 numMergedOcc 0
36 mol 115 unq 7 iso 0 dist 7.88312 9.14376 4.62962 5.74857 7.21418 5.99374 8.02349 5.83991 9.65429 10.9766 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 8.71039 5.89022 8.15392 5.55373 8.40312 12.5969 8.86329 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 7.12972 8.6243 6.19596 8.71039 5.89022 8.15392 6.63273 6.85062 6.91348 11.6142 numMergedOcc 0
39 mol 131 unq 2 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 5.55373 8.40312 12.5969 11.4206 numMergedOcc 0
40 mol 131 unq 3 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 6.63273 6.85062 6.91348 9.29384 numMergedOcc 0
41 mol 131 unq 4 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 10.7062 8.40312 12.5969 11.4206 numMergedOcc 0
42 mol 131 unq 5 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 6.63273 7.12972 8.6243 6.92648 numMergedOcc 0
43 mol 131 unq 6 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 10.7062 8.40312 13.6559 11.4206 numMergedOcc 0
44 mol 131 unq 7 iso 0 dist 6.85062 9.51418 6.6499 9.29384 9.32969 15.1974 6.63273 7.12972 12.9472 6.92648 numMergedOcc 0
45 mol 134 unq 0 iso 0 dist 6.54501 8.6355 10.1448 5.53031 5.35679 11.9544 5.79898 9.89303 12.0514 10.0513 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 5.49782 6.37586 5.42582 10.873 numMergedOcc 0
47 mol 134 unq 2 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 8.80819 6.49416 8.6355 13.846 numMergedOcc 0
48 mol 134 unq 3 iso 0 dist 6.49416 8.6355 5.41704 5.53031 8.46636 11.9544 8.80819 8.94367 8.79571 13.9396 numMergedOcc 0
49 mol 134 unq 4 iso 0 dist 6.49416 8.6355 5.41704 5.53031 8.46636 11.9544 5.00817 6.37586 5.42582 10.1537 numMergedOcc 0
50 mol 134 unq 5 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 5.49782 9.71307 5.42582 10.873 numMergedOcc 0
51 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 9.17106 12.6057 5.14959 5.32922 5.31024 9.07935 12.432 numMergedOcc 0
52 mol 142 unq 1 iso 0 dist 7.73169 7.15475 7.53854 9.17106 8.38032 5.14959 5.32922 7.26382 9.07935 12.432 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.51749 13.8722 10.4684 13.2049 8.03334 12.1309 15.2991 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 6.51749 13.8722 12.69 13.2049 8.03334 12.2058 15.2991 numMergedOcc 0
55 mol 181 unq 2 iso 0 dist 5.98885 6.94688 5.86342 6.51749 5.93488 10.4684 10.1912 9.09537 14.4632 7.20392 numMergedOcc 0
56 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 6.51749 5.93488 12.69 10.1912 9.09537 15.4777 7.20392 numMergedOcc 0
57 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 6.99063 9.34734 12.4085 12.9778 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 5.22356 8.65997 6.95902 5.4694 numMergedOcc 0
59 mol 227 unq 2 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 10.8658 7.56888 11.004 13.9676 numMergedOcc 0
60 mol 227 unq 3 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 12.4689 7.55216 12.8864 16.9219 numMergedOcc 0
61 mol 227 unq 4 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 7.60506 9.34734 17.0949 12.9778 numMergedOcc 0
62 mol 227 unq 5 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 5.22356 7.22101 13.4493 8.38865 numMergedOcc 0
63 mol 227 unq 6 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 9.70012 7.56888 16.5207 13.9676 numMergedOcc 0
64 mol 227 unq 7 iso 0 dist 8.65997 9.62609 14.6185 5.4694 11.0628 5.23507 12.9332 7.55216 19.8174 16.9219 numMergedOcc 0
65 mol 227 unq 8 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 7.60506 9.34734 12.4085 12.9778 numMergedOcc 0
66 mol 227 unq 9 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 5.22356 7.22101 8.17891 8.38865 numMergedOcc 0
67 mol 227 unq 10 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 9.70012 7.56888 11.004 13.9676 numMergedOcc 0
68 mol 227 unq 11 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 12.9332 7.55216 12.8864 16.9219 numMergedOcc 0
69 mol 227 unq 12 iso 0 dist 7.55216 8.83563 11.662 5.87815 10.6244 4.3387 9.51866 9.34734 14.4583 13.9889 numMergedOcc 0
70 mol 227 unq 13 iso 0 dist 7.55216 8.83563 11.662 5.87815 10.6244 4.3387 12.4689 7.22101 15.9414 16.0894 numMergedOcc 0
71 mol 227 unq 14 iso 0 dist 7.55216 8.83563 11.662 5.87815 10.6244 4.3387 12.9332 8.65997 18.8667 17.8603 numMergedOcc 0
72 mol 227 unq 15 iso 0 dist 7.55216 8.83563 11.662 5.87815 10.6244 4.3387 4.48529 7.56888 12.9801 10.3595 numMergedOcc 0
73 mol 234 unq 0 iso 0 dist 6.56247 6.25105 11.216 8.24186 5.63086 13.0974 5.88703 9.45496 7.85175 7.5366 numMergedOcc 0
74 mol 234 unq 1 iso 0 dist 9.36357 6.25105 11.4315 8.24186 5.6819 13.0974 5.88703 6.7625 7.85175 7.5366 numMergedOcc 0
75 mol 234 unq 2 iso 0 dist 9.45496 9.5707 15.9563 7.5366 5.63086 16.5499 5.88703 6.56247 10.3388 8.24186 numMergedOcc 0
76 mol 234 unq 3 iso 0 dist 9.45496 7.85175 11.216 7.5366 5.63086 13.0974 5.88703 6.56247 6.25105 8.24186 numMergedOcc 0
77 mol 234 unq 4 iso 0 dist 6.7625 9.5707 14.4106 7.5366 5.6819 16.5499 5.88703 9.36357 10.3388 8.24186 numMergedOcc 0
78 mol 234 unq 5 iso 0 dist 6.7625 7.85175 11.4315 7.5366 5.6819 13.0974 5.88703 9.36357 6.25105 8.24186 numMergedOcc 0
79 mol 236 unq 0 iso 0 dist 9.81562 5.34718 11.8759 8.50331 7.22918 11.6774 7.28249 8.03456 7.17676 11.9847 numMergedOcc 0
80 mol 236 unq 1 iso 0 dist 7.68742 5.34718 11.3552 8.50331 9.05842 11.6774 7.28249 6.84306 7.17676 11.9847 numMergedOcc 0
81 mol 236 unq 2 iso 0 dist 6.27581 5.34718 6.04825 8.50331 7.00028 11.6774 7.28249 9.99038 7.17676 11.9847 numMergedOcc 0
82 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 6.17052 5.99459 6.53154 5.55137 7.21521 11.9152 9.77666 numMergedOcc 0
83 mol 248 unq 1 iso 0 dist 7.69895 8.50864 10.1857 6.17052 5.99459 6.53154 10.8081 8.2965 14.4409 13.0539 numMergedOcc 0
84 mol 272 unq 0 iso 0 dist 8.46116 9.09992 5.63139 9.19033 13.5034 11.8912 5.40809 8.33638 6.73206 11.9971 numMergedOcc 0
85 mol 272 unq 1 iso 0 dist 8.46116 6.16449 8.52877 9.19033 13.5034 6.56154 5.40809 8.33638 10.1966 11.9971 numMergedOcc 0
