0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.2708 10.672 9.55056 12.2333 13.2247 5.44992 7.31201 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 7.88043 10.2446 6.06176 6.36911 7.45262 12.2333 13.2247 5.44992 9.36807 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.41585 8.80762 12.3097 12.2708 10.672 7.57354 12.2333 13.2247 4.74523 7.31201 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.41585 8.80762 12.3097 6.06176 6.36911 6.96586 12.2333 13.2247 4.74523 9.36807 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 5.72491 5.44992 10.515 9.36807 7.45262 10.5461 13.2247 10.2446 6.36911 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.8924 14.7292 8.94096 10.5239 6.66612 5.02333 8.99126 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.63133 6.56335 10.454 6.73355 13.0191 7.40724 5.46498 5.32694 6.70071 8.41862 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 7.63133 6.56335 10.454 6.73355 13.0191 7.40724 8.71745 10.4155 4.50891 8.16785 numMergedOcc 0
8 mol 16 unq 2 iso 0 dist 5.46498 6.56335 6.70071 6.73355 8.41862 7.40724 8.71745 5.74188 4.50891 8.16785 numMergedOcc 0
9 mol 16 unq 3 iso 0 dist 8.71745 6.56335 4.50891 6.73355 8.16785 7.40724 5.46498 5.74188 6.70071 8.41862 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 8.86116 6.60423 5.97304 5.39241 12.4274 8.62284 6.86014 10.0952 6.00575 9.75144 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 11.7126 11.695 9.9928 7.88312 11.5723 7.3094 6.99777 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 11.7126 13.9977 9.9928 7.88312 8.02349 7.3094 6.99777 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 10.0197 14.0269 9.87025 12.6489 12.4603 7.61939 6.19042 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 10.0197 14.0269 9.87025 9.72413 12.8594 10.326 8.43904 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.73993 8.56342 4.91132 10.6679 9.63176 5.85818 16.7981 11.6667 9.3046 7.39889 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.73993 8.56342 4.91132 10.6679 9.63176 5.85818 12.6489 12.4603 7.61939 7.44174 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 9.87172 7.99857 7.61939 6.35763 6.19042 9.87025 10.1813 9.22558 10.326 8.43904 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 9.87172 7.99857 7.61939 7.36192 7.44174 5.85818 14.5183 11.3169 9.3046 7.39889 numMergedOcc 0
19 mol 119 unq 6 iso 0 dist 9.87172 7.99857 7.61939 7.36192 7.44174 5.85818 10.3704 12.4603 4.91132 9.63176 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 8.84655 6.89257 6.42785 13.7544 6.83397 7.55374 6.79146 numMergedOcc 0
21 mol 130 unq 1 iso 0 dist 8.70949 8.33077 5.97111 8.84655 6.89257 6.42785 13.572 7.50049 11.576 7.66168 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 5.99315 7.63338 12.8872 6.01455 9.27292 8.1582 10.6877 14.4073 6.41287 7.31468 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 6.01455 9.27292 8.1582 12.7524 14.5751 11.488 7.7056 numMergedOcc 0
24 mol 143 unq 2 iso 0 dist 5.99315 7.25673 9.23795 6.01455 9.27292 7.88655 10.6877 14.4073 7.11704 7.31468 numMergedOcc 0
25 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 6.01455 9.27292 7.88655 12.7524 14.5751 9.53139 7.7056 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 8.34702 7.73169 5.71107 5.07967 10.7757 7.04913 10.2717 12.5876 7.7635 6.88137 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 9.06726 7.73169 11.2067 5.07967 13.5803 7.04913 10.2717 16.573 7.7635 6.88137 numMergedOcc 0
28 mol 156 unq 2 iso 0 dist 8.33171 7.73169 9.44399 5.07967 11.7927 7.04913 10.2717 12.6998 7.7635 6.88137 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 11.1651 15.9448 7.01126 19.63 21.5411 13.9336 9.31887 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 9.29945 9.17364 10.0424 11.1651 15.9448 6.58434 19.63 21.5411 11.873 9.31887 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 5.4601 10.2276 7.345 5.98885 8.88798 5.93488 7.20046 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.1374 6.51749 13.8722 10.0524 10.7636 9.52987 5.98885 8.88798 5.93488 7.13543 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 9.15386 6.51749 7.64267 5.4601 11.968 7.345 5.98885 5.16002 5.93488 7.20046 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 9.15386 6.51749 7.64267 10.0524 11.8099 9.52987 5.98885 5.16002 5.93488 7.13543 numMergedOcc 0
35 mol 192 unq 0 iso 0 dist 7.00794 7.24199 8.51255 5.71262 12.1647 8.53433 5.59424 5.76246 7.0057 8.36822 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 9.65138 6.38157 7.38025 6.67959 10.852 5.10114 8.85478 4.40923 5.63388 7.46831 numMergedOcc 0
37 mol 214 unq 1 iso 0 dist 9.65138 6.38157 7.38025 6.67959 10.852 5.10114 11.9355 12.1198 6.214 8.60247 numMergedOcc 0
38 mol 214 unq 2 iso 0 dist 7.14453 6.38157 9.35273 6.67959 12.6888 5.10114 8.85478 11.3796 5.63388 7.46831 numMergedOcc 0
39 mol 214 unq 3 iso 0 dist 7.14453 6.38157 9.35273 6.67959 12.6888 5.10114 11.9355 14.0682 6.214 8.60247 numMergedOcc 0
40 mol 214 unq 4 iso 0 dist 8.85478 6.38157 5.63388 6.67959 7.46831 5.10114 11.9355 10.3105 6.214 8.60247 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 6.43754 12.4085 7.1372 7.22101 6.99063 10.5813 8.17891 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 9.34734 8.03442 10.2525 6.43754 12.4085 7.1372 8.65997 7.60506 7.22396 6.95902 numMergedOcc 0
43 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 6.43754 8.17891 7.1372 8.65997 5.22356 7.22396 6.95902 numMergedOcc 0
44 mol 227 unq 3 iso 0 dist 8.65997 8.03442 7.22396 6.43754 6.95902 7.1372 7.22101 5.22356 10.5813 8.17891 numMergedOcc 0
45 mol 227 unq 4 iso 0 dist 7.56888 8.03442 6.10296 6.43754 11.004 7.1372 7.22101 10.8658 10.5813 8.17891 numMergedOcc 0
46 mol 227 unq 5 iso 0 dist 7.56888 8.03442 6.10296 6.43754 11.004 7.1372 8.65997 9.70012 7.22396 6.95902 numMergedOcc 0
47 mol 227 unq 6 iso 0 dist 7.55216 8.03442 9.69537 6.43754 12.8864 7.1372 7.22101 12.4689 10.5813 8.17891 numMergedOcc 0
48 mol 227 unq 7 iso 0 dist 7.55216 8.03442 9.69537 6.43754 12.8864 7.1372 8.65997 12.9332 7.22396 6.95902 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 6.22714 5.64181 10.216 10.4664 10.5202 8.6597 10.0756 7.17989 11.1167 5.38637 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 6.22714 5.64181 10.216 10.4664 10.5202 8.6597 7.31233 5.34096 7.83352 6.55759 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 6.22714 5.64181 10.216 11.2717 12.1784 7.47235 12.4767 16.3479 7.69482 8.96531 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 6.22714 5.64181 10.216 11.2717 12.1784 7.47235 7.31233 5.34096 7.83352 7.02475 numMergedOcc 0
53 mol 238 unq 4 iso 0 dist 6.22714 5.64181 10.216 5.17471 7.49471 6.44735 7.31233 5.34096 7.83352 7.19008 numMergedOcc 0
54 mol 238 unq 5 iso 0 dist 7.31233 5.64181 7.83352 10.4664 6.55759 8.6597 10.0756 5.42006 11.1167 5.38637 numMergedOcc 0
55 mol 238 unq 6 iso 0 dist 7.31233 5.64181 7.83352 11.2717 7.02475 7.47235 12.4767 12.9854 7.69482 8.96531 numMergedOcc 0
56 mol 238 unq 7 iso 0 dist 7.31233 5.64181 7.83352 5.17471 7.19008 6.44735 6.22714 5.34096 10.216 7.49471 numMergedOcc 0
57 mol 252 unq 0 iso 0 dist 8.1715 6.11473 5.72783 4.23801 10.165 6.57207 8.1148 8.41807 9.32326 7.66365 numMergedOcc 0
58 mol 252 unq 1 iso 0 dist 8.1715 8.47784 10.672 4.23801 10.165 5.2361 8.1148 8.41807 5.89666 7.66365 numMergedOcc 0
59 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.79468 7.48005 6.39918 11.858 12.5353 7.31951 8.37865 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 5.30224 8.59697 7.31951 5.31048 8.37865 6.39918 12.0576 12.5353 5.60748 7.48005 numMergedOcc 0
61 mol 272 unq 0 iso 0 dist 8.33638 8.46061 8.7909 8.52877 10.1966 7.55161 8.46116 5.40809 4.86504 6.16449 numMergedOcc 0
