0 mol 15 unq 0 iso 0 dist 9.20338 11.7203 8.21493 14.5813 5.90976 8.38064 11.6322 7.12903 9.03536 9.97507 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.20338 11.6322 7.12903 14.5813 5.90976 9.97507 11.7203 8.21493 9.03536 8.38064 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.77753 5.38671 7.03948 8.33883 6.2983 5.05803 5.45161 5.47769 6.92781 6.31718 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 5.77753 5.45161 5.47769 8.33883 6.2983 6.31718 5.38671 7.03948 6.92781 5.05803 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 5.77753 5.45161 5.47769 9.79958 5.94084 7.63133 6.43294 6.58035 5.32694 5.46498 numMergedOcc 0
5 mol 16 unq 3 iso 0 dist 5.77753 5.45161 5.47769 9.79958 5.94084 7.63133 11.6041 12.1189 10.4155 8.71745 numMergedOcc 0
6 mol 16 unq 4 iso 0 dist 5.77753 6.43294 6.58035 9.79958 5.94084 5.46498 5.45161 5.47769 5.32694 7.63133 numMergedOcc 0
7 mol 16 unq 5 iso 0 dist 5.77753 6.43294 6.58035 9.79958 5.94084 5.46498 11.6041 12.1189 5.74188 8.71745 numMergedOcc 0
8 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 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 9.04865 12.4435 8.23643 13.8602 6.55187 4.54938 9.84922 8.73972 5.03957 7.82074 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 9.04865 12.4435 8.23643 18.8997 12.3093 6.864 19.6876 14.6255 7.67038 4.51865 numMergedOcc 0
11 mol 19 unq 3 iso 0 dist 9.04865 9.84922 8.73972 13.8602 6.55187 7.82074 19.6876 14.6255 10.3915 8.4674 numMergedOcc 0
12 mol 19 unq 4 iso 0 dist 9.04865 9.84922 8.73972 13.8602 6.55187 7.82074 12.4435 8.23643 5.03957 4.54938 numMergedOcc 0
13 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 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.4154 10.4716 8.70133 6.89722 7.41074 9.96396 13.9156 15.9587 14.9342 8.70481 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 6.4154 5.2774 4.65521 6.89722 7.41074 6.19304 10.4716 8.70133 5.4148 9.96396 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 6.4154 5.2774 4.65521 6.89722 7.41074 6.19304 13.9156 15.9587 13.3558 8.70481 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 9.82043 5.2995 6.58204 13.2687 10.9608 9.60661 7.58985 7.75343 5.88134 6.65086 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 9.82043 5.2995 6.58204 12.5343 5.69137 9.35224 7.58985 7.75343 5.88134 6.56369 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 9.82043 7.58985 7.75343 12.0248 15.209 7.47343 5.69234 11.8016 5.33144 6.45675 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 9.82043 7.58985 7.75343 12.0248 15.209 7.47343 12.6852 15.6924 10.1407 8.86688 numMergedOcc 0
21 mol 100 unq 4 iso 0 dist 9.82043 7.58985 7.75343 13.2687 10.9608 6.65086 5.2995 6.58204 5.88134 9.60661 numMergedOcc 0
22 mol 100 unq 5 iso 0 dist 9.82043 7.58985 7.75343 12.5343 5.69137 6.56369 5.2995 6.58204 5.88134 9.35224 numMergedOcc 0
23 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 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 8.25207 14.4683 7.92688 18.0344 12.2037 8.00618 20.8911 15.1694 7.79672 6.80239 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 5.64806 6.68061 7.16254 9.70079 6.3845 6.23493 11.0287 9.14392 5.71071 7.46303 numMergedOcc 0
26 mol 155 unq 1 iso 0 dist 5.64806 11.0287 9.14392 9.70079 6.3845 7.46303 6.68061 7.16254 5.71071 6.23493 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 8.47477 6.39035 6.27641 14.7712 8.67156 8.94056 14.3848 10.9818 10.1658 7.66148 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 8.57453 9.27577 6.27641 16.4964 8.67156 8.94056 17.4247 10.9818 10.1658 7.66148 numMergedOcc 0
29 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 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 6.84347 12.1089 9.31887 17.1425 11.0415 9.0018 15.6832 11.3137 8.16421 6.57069 numMergedOcc 0
31 mol 175 unq 2 iso 0 dist 6.84347 12.1089 9.31887 11.1504 5.0384 7.652 17.2853 12.816 6.2715 9.92231 numMergedOcc 0
32 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 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 6.35728 10.644 7.46831 8.49704 6.67959 8.85478 11.832 12.6888 11.3796 7.14453 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 5.04916 4.28891 7.18956 8.7347 7.61682 7.54212 8.81265 10.8957 6.8425 6.00706 numMergedOcc 0
35 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 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 6.4508 5.41021 6.67585 9.33771 5.29877 8.95269 12.979 10.667 11.5372 5.78342 numMergedOcc 0
37 mol 224 unq 2 iso 0 dist 6.4508 4.91322 6.65984 9.33771 5.29877 6.57273 5.41021 6.67585 4.70378 8.95269 numMergedOcc 0
38 mol 224 unq 3 iso 0 dist 6.4508 4.91322 6.65984 9.33771 5.29877 6.57273 12.979 10.667 8.49799 5.78342 numMergedOcc 0
39 mol 224 unq 4 iso 0 dist 6.4508 4.91322 6.65984 7.39839 6.12232 6.60589 7.65225 11.0097 6.77699 6.65832 numMergedOcc 0
40 mol 224 unq 5 iso 0 dist 6.4508 4.91322 6.65984 7.39839 6.12232 6.60589 12.979 10.667 8.49799 9.16166 numMergedOcc 0
41 mol 224 unq 6 iso 0 dist 8.60781 5.63485 6.87664 9.79616 7.12232 6.57273 9.36962 10.8259 5.0744 6.60589 numMergedOcc 0
42 mol 224 unq 7 iso 0 dist 8.60781 5.63485 6.87664 10.0081 5.3621 5.78342 9.36962 10.8259 5.0744 9.16166 numMergedOcc 0
43 mol 224 unq 8 iso 0 dist 8.60781 5.63485 6.87664 10.0081 5.3621 5.78342 10.3532 10.2775 5.60236 5.81334 numMergedOcc 0
44 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 numMergedOcc 0
45 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 numMergedOcc 0
46 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 numMergedOcc 0
47 mol 227 unq 3 iso 0 dist 8.11377 5.70988 9.62609 13.9401 14.6185 8.65997 18.6191 19.8174 12.9332 7.55216 numMergedOcc 0
48 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 numMergedOcc 0
49 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 numMergedOcc 0
50 mol 227 unq 6 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 10.6504 11.004 10.8658 7.56888 numMergedOcc 0
51 mol 227 unq 7 iso 0 dist 8.34104 14.9329 8.17891 9.17826 6.43754 7.22101 11.4528 12.8864 12.4689 7.55216 numMergedOcc 0
52 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 numMergedOcc 0
53 mol 227 unq 9 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 14.9329 8.17891 5.22356 7.22101 numMergedOcc 0
54 mol 227 unq 10 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 10.6504 11.004 9.70012 7.56888 numMergedOcc 0
55 mol 227 unq 11 iso 0 dist 8.34104 13.2783 6.95902 9.17826 6.43754 8.65997 11.4528 12.8864 12.9332 7.55216 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 5.12523 5.1874 7.97444 9.696 6.8406 8.49997 10.7962 11.5594 6.33073 7.56915 numMergedOcc 0
57 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 numMergedOcc 0
58 mol 282 unq 1 iso 0 dist 5.2527 4.85461 6.85028 9.63346 6.3384 8.04483 8.85797 7.32347 5.39891 6.33524 numMergedOcc 0
59 mol 282 unq 2 iso 0 dist 5.2527 8.85797 7.32347 9.63346 6.3384 6.33524 4.85461 6.85028 5.39891 8.04483 numMergedOcc 0
60 mol 282 unq 3 iso 0 dist 5.2527 8.85797 7.32347 9.63346 6.3384 6.33524 13.108 10.4802 4.66602 8.76532 numMergedOcc 0
