0 mol 16 unq 0 iso 0 dist 5.77753 5.45161 5.47769 9.79958 5.94084 7.63133 6.43294 6.58035 5.32694 5.46498 11.6041 12.1189 10.4155 8.71745 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.77753 5.45161 5.47769 9.79958 5.94084 7.63133 11.6041 12.1189 10.4155 8.71745 6.43294 6.58035 5.32694 5.46498 5.74188 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.77753 6.43294 6.58035 9.79958 5.94084 5.46498 5.45161 5.47769 5.32694 7.63133 11.6041 12.1189 5.74188 8.71745 10.4155 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 5.77753 6.43294 6.58035 9.79958 5.94084 5.46498 11.6041 12.1189 5.74188 8.71745 5.45161 5.47769 5.32694 7.63133 10.4155 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.04865 12.4435 8.23643 13.8602 6.55187 4.54938 19.6876 14.6255 7.67038 8.4674 9.84922 8.73972 5.03957 7.82074 10.3915 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 9.04865 12.4435 8.23643 13.8602 6.55187 4.54938 9.84922 8.73972 5.03957 7.82074 19.6876 14.6255 7.67038 8.4674 10.3915 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 9.04865 9.84922 8.73972 13.8602 6.55187 7.82074 19.6876 14.6255 10.3915 8.4674 12.4435 8.23643 5.03957 4.54938 7.67038 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 9.04865 9.84922 8.73972 13.8602 6.55187 7.82074 12.4435 8.23643 5.03957 4.54938 19.6876 14.6255 10.3915 8.4674 7.67038 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.4154 10.4716 8.70133 6.89722 7.41074 9.96396 5.2774 4.65521 5.4148 6.19304 13.9156 15.9587 14.9342 8.70481 13.3558 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 6.4154 10.4716 8.70133 6.89722 7.41074 9.96396 13.9156 15.9587 14.9342 8.70481 5.2774 4.65521 5.4148 6.19304 13.3558 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.4154 5.2774 4.65521 6.89722 7.41074 6.19304 10.4716 8.70133 5.4148 9.96396 13.9156 15.9587 13.3558 8.70481 14.9342 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 6.4154 5.2774 4.65521 6.89722 7.41074 6.19304 13.9156 15.9587 13.3558 8.70481 10.4716 8.70133 5.4148 9.96396 14.9342 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.82043 7.58985 7.75343 12.0248 15.209 7.47343 5.69234 11.8016 5.33144 6.45675 12.6852 15.6924 10.1407 8.86688 9.71151 numMergedOcc 0
13 mol 100 unq 0 iso 1 dist 9.82043 7.58985 7.75343 12.0248 15.209 7.47343 12.6852 15.6924 10.1407 8.86688 5.69234 11.8016 5.33144 6.45675 9.71151 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.25207 14.4683 7.92688 18.0344 12.2037 8.00618 24.0063 17.2931 11.965 6.29155 20.8911 15.1694 7.79672 6.80239 7.81217 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 8.25207 14.4683 7.92688 18.0344 12.2037 8.00618 20.8911 15.1694 7.79672 6.80239 24.0063 17.2931 11.965 6.29155 7.81217 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 6.84347 12.1089 9.31887 17.1425 11.0415 9.0018 17.2853 12.816 6.2715 5.6234 15.6832 11.3137 8.16421 6.57069 5.35493 numMergedOcc 0
17 mol 175 unq 0 iso 1 dist 6.84347 12.1089 9.31887 17.1425 11.0415 9.0018 15.6832 11.3137 8.16421 6.57069 17.2853 12.816 6.2715 5.6234 5.35493 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 6.35728 10.644 7.46831 8.49704 6.67959 8.85478 12.4611 10.852 4.40923 9.65138 11.832 12.6888 11.3796 7.14453 9.10746 numMergedOcc 0
19 mol 214 unq 0 iso 1 dist 6.35728 10.644 7.46831 8.49704 6.67959 8.85478 11.832 12.6888 11.3796 7.14453 12.4611 10.852 4.40923 9.65138 9.10746 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 6.4508 5.41021 6.67585 9.33771 5.29877 8.95269 4.91322 6.65984 4.70378 6.57273 12.979 10.667 11.5372 5.78342 8.49799 numMergedOcc 0
21 mol 224 unq 0 iso 1 dist 6.4508 5.41021 6.67585 9.33771 5.29877 8.95269 12.979 10.667 11.5372 5.78342 4.91322 6.65984 4.70378 6.57273 8.49799 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 6.4508 4.91322 6.65984 9.33771 5.29877 6.57273 5.41021 6.67585 4.70378 8.95269 12.979 10.667 8.49799 5.78342 11.5372 numMergedOcc 0
23 mol 224 unq 1 iso 1 dist 6.4508 4.91322 6.65984 9.33771 5.29877 6.57273 12.979 10.667 8.49799 5.78342 5.41021 6.67585 4.70378 8.95269 11.5372 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 6.4508 4.91322 6.65984 7.39839 6.12232 6.60589 7.65225 11.0097 6.77699 6.65832 12.979 10.667 8.49799 9.16166 11.328 numMergedOcc 0
25 mol 224 unq 2 iso 1 dist 6.4508 4.91322 6.65984 7.39839 6.12232 6.60589 12.979 10.667 8.49799 9.16166 7.65225 11.0097 6.77699 6.65832 11.328 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 8.60781 5.63485 6.87664 10.0081 5.3621 5.78342 9.36962 10.8259 5.0744 9.16166 10.3532 10.2775 5.60236 5.81334 6.91102 numMergedOcc 0
27 mol 224 unq 3 iso 1 dist 8.60781 5.63485 6.87664 10.0081 5.3621 5.78342 10.3532 10.2775 5.60236 5.81334 9.36962 10.8259 5.0744 9.16166 6.91102 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 12.1973 17.0949 7.60506 9.34734 9.08827 13.4493 5.22356 7.22101 6.99063 numMergedOcc 0
29 mol 227 unq 0 iso 1 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 9.08827 13.4493 5.22356 7.22101 12.1973 17.0949 7.60506 9.34734 6.99063 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 12.1973 17.0949 7.60506 9.34734 15.1406 16.5207 9.70012 7.56888 7.43198 numMergedOcc 0
31 mol 227 unq 1 iso 1 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 15.1406 16.5207 9.70012 7.56888 12.1973 17.0949 7.60506 9.34734 7.43198 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 12.1973 17.0949 7.60506 9.34734 18.6191 19.8174 12.9332 7.55216 9.51866 numMergedOcc 0
33 mol 227 unq 2 iso 1 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 18.6191 19.8174 12.9332 7.55216 12.1973 17.0949 7.60506 9.34734 9.51866 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 9.08827 13.4493 5.22356 7.22101 15.1406 16.5207 9.70012 7.56888 10.8658 numMergedOcc 0
35 mol 227 unq 1 iso 1 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 15.1406 16.5207 9.70012 7.56888 9.08827 13.4493 5.22356 7.22101 10.8658 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 9.08827 13.4493 5.22356 7.22101 18.6191 19.8174 12.9332 7.55216 12.4689 numMergedOcc 0
37 mol 227 unq 2 iso 1 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 18.6191 19.8174 12.9332 7.55216 9.08827 13.4493 5.22356 7.22101 12.4689 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 15.1406 16.5207 9.70012 7.56888 18.6191 19.8174 12.9332 7.55216 4.48529 numMergedOcc 0
39 mol 227 unq 2 iso 1 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 18.6191 19.8174 12.9332 7.55216 15.1406 16.5207 9.70012 7.56888 4.48529 numMergedOcc 0
40 mol 227 unq 3 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 16.2594 12.4085 6.99063 9.34734 13.2783 6.95902 5.22356 8.65997 7.60506 numMergedOcc 0
41 mol 227 unq 3 iso 1 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 13.2783 6.95902 5.22356 8.65997 16.2594 12.4085 6.99063 9.34734 7.60506 numMergedOcc 0
42 mol 227 unq 4 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 16.2594 12.4085 6.99063 9.34734 10.6504 11.004 10.8658 7.56888 7.43198 numMergedOcc 0
43 mol 227 unq 4 iso 1 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 10.6504 11.004 10.8658 7.56888 16.2594 12.4085 6.99063 9.34734 7.43198 numMergedOcc 0
44 mol 227 unq 5 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 16.2594 12.4085 6.99063 9.34734 11.4528 12.8864 12.4689 7.55216 9.51866 numMergedOcc 0
45 mol 227 unq 5 iso 1 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 11.4528 12.8864 12.4689 7.55216 16.2594 12.4085 6.99063 9.34734 9.51866 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 13.2783 6.95902 5.22356 8.65997 10.6504 11.004 10.8658 7.56888 9.70012 numMergedOcc 0
47 mol 227 unq 4 iso 1 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 10.6504 11.004 10.8658 7.56888 13.2783 6.95902 5.22356 8.65997 9.70012 numMergedOcc 0
48 mol 227 unq 5 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 13.2783 6.95902 5.22356 8.65997 11.4528 12.8864 12.4689 7.55216 12.9332 numMergedOcc 0
49 mol 227 unq 5 iso 1 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 11.4528 12.8864 12.4689 7.55216 13.2783 6.95902 5.22356 8.65997 12.9332 numMergedOcc 0
50 mol 227 unq 5 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 10.6504 11.004 10.8658 7.56888 11.4528 12.8864 12.4689 7.55216 4.48529 numMergedOcc 0
51 mol 227 unq 5 iso 1 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 11.4528 12.8864 12.4689 7.55216 10.6504 11.004 10.8658 7.56888 4.48529 numMergedOcc 0
52 mol 227 unq 6 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 16.2594 12.4085 7.60506 9.34734 14.9329 8.17891 5.22356 7.22101 6.99063 numMergedOcc 0
53 mol 227 unq 6 iso 1 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 14.9329 8.17891 5.22356 7.22101 16.2594 12.4085 7.60506 9.34734 6.99063 numMergedOcc 0
54 mol 227 unq 7 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 16.2594 12.4085 7.60506 9.34734 10.6504 11.004 9.70012 7.56888 7.43198 numMergedOcc 0
55 mol 227 unq 7 iso 1 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 10.6504 11.004 9.70012 7.56888 16.2594 12.4085 7.60506 9.34734 7.43198 numMergedOcc 0
56 mol 227 unq 8 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 16.2594 12.4085 7.60506 9.34734 11.4528 12.8864 12.9332 7.55216 9.51866 numMergedOcc 0
57 mol 227 unq 8 iso 1 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 11.4528 12.8864 12.9332 7.55216 16.2594 12.4085 7.60506 9.34734 9.51866 numMergedOcc 0
58 mol 227 unq 7 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 14.9329 8.17891 5.22356 7.22101 10.6504 11.004 9.70012 7.56888 10.8658 numMergedOcc 0
59 mol 227 unq 7 iso 1 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 10.6504 11.004 9.70012 7.56888 14.9329 8.17891 5.22356 7.22101 10.8658 numMergedOcc 0
60 mol 227 unq 8 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 14.9329 8.17891 5.22356 7.22101 11.4528 12.8864 12.9332 7.55216 12.4689 numMergedOcc 0
61 mol 227 unq 8 iso 1 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 11.4528 12.8864 12.9332 7.55216 14.9329 8.17891 5.22356 7.22101 12.4689 numMergedOcc 0
62 mol 227 unq 8 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 10.6504 11.004 9.70012 7.56888 11.4528 12.8864 12.9332 7.55216 4.48529 numMergedOcc 0
63 mol 227 unq 8 iso 1 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 11.4528 12.8864 12.9332 7.55216 10.6504 11.004 9.70012 7.56888 4.48529 numMergedOcc 0
64 mol 282 unq 0 iso 0 dist 5.2527 4.85461 6.85028 9.63346 6.3384 8.04483 13.108 10.4802 10.0156 8.76532 8.85797 7.32347 5.39891 6.33524 4.66602 numMergedOcc 0
65 mol 282 unq 0 iso 1 dist 5.2527 4.85461 6.85028 9.63346 6.3384 8.04483 8.85797 7.32347 5.39891 6.33524 13.108 10.4802 10.0156 8.76532 4.66602 numMergedOcc 0
66 mol 282 unq 1 iso 0 dist 5.2527 8.85797 7.32347 9.63346 6.3384 6.33524 4.85461 6.85028 5.39891 8.04483 13.108 10.4802 4.66602 8.76532 10.0156 numMergedOcc 0
67 mol 282 unq 1 iso 1 dist 5.2527 8.85797 7.32347 9.63346 6.3384 6.33524 13.108 10.4802 4.66602 8.76532 4.85461 6.85028 5.39891 8.04483 10.0156 numMergedOcc 0
