0 mol 7 unq 0 iso 0 dist 7.21217 12.4418 9.36807 13.2513 13.2247 6.36911 16.2933 12.2333 6.06176 8.41585 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.84479 5.1298 5.47769 9.18436 6.92781 7.03948 5.35079 6.31718 6.2983 5.05803 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.84479 5.1298 5.47769 8.67719 5.32694 6.58035 6.53177 7.63133 5.94084 5.46498 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 8.67719 5.1298 6.58035 9.18436 10.7015 7.03948 5.35079 10.9143 6.2983 5.05803 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 8.67719 5.1298 6.58035 5.84479 5.32694 5.47769 5.35079 10.9143 6.2983 6.31718 numMergedOcc 0
5 mol 16 unq 4 iso 0 dist 8.67719 5.1298 6.58035 5.84479 5.32694 5.47769 6.53177 5.46498 5.94084 7.63133 numMergedOcc 0
6 mol 16 unq 5 iso 0 dist 8.67719 13.18 8.41862 13.4596 5.74188 8.16785 6.53177 5.46498 6.73355 8.71745 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 9.69454 8.47464 6.00439 13.6876 7.83352 6.20943 7.62549 9.78944 5.14627 8.4674 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 9.69454 8.47464 6.00439 13.6876 7.83352 6.20943 12.2455 9.56313 4.69858 4.51865 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 9.69454 8.47464 6.00439 10.6173 10.8007 7.82528 14.7725 15.679 10.4988 7.20519 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 9.69454 8.47464 6.00439 10.6173 10.8007 7.82528 7.62549 9.78944 5.14627 4.54938 numMergedOcc 0
11 mol 19 unq 4 iso 0 dist 9.69454 8.47464 6.00439 10.6173 10.8007 7.82528 12.2455 9.56313 4.69858 6.864 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 9.56737 17.0485 8.89374 12.9335 5.35073 8.63333 11.5882 6.35756 6.47744 6.86465 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 9.56737 17.0485 8.89374 17.1344 8.62958 6.46761 19.3756 12.1902 5.24906 6.64012 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 9.56737 17.0485 8.89374 23.3119 14.176 9.73139 19.3756 12.1902 5.24906 9.4099 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 9.56737 17.0485 8.89374 23.3119 14.176 9.73139 29.4636 20.984 13.1021 9.55426 numMergedOcc 0
16 mol 64 unq 0 iso 0 dist 6.6003 5.78769 9.54144 12.2258 10.6748 8.68586 10.9566 14.5656 5.3948 9.67592 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 9.514 5.02124 5.81965 13.0248 8.95922 9.70512 11.8037 7.4729 6.99832 6.82344 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 7.84888 5.02124 7.06013 9.514 5.02055 5.81965 11.8037 11.862 6.99832 7.4729 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 7.84888 5.02124 7.06013 13.0248 12.4494 9.70512 11.8037 11.862 6.99832 6.82344 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 8.42445 10.453 8.71128 11.2415 5.59517 7.52743 10.2944 10.1937 4.77056 7.35754 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 7.70533 12.4058 6.62561 14.7579 7.22206 7.63616 14.3476 7.90328 4.91401 7.83136 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 8.97145 10.4276 6.91348 14.5129 6.63273 8.6243 14.257 6.85062 6.19596 7.12972 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.5874 4.96935 6.91348 11.4628 6.63273 8.6243 7.60371 6.85062 6.19596 7.12972 numMergedOcc 0
24 mol 142 unq 0 iso 0 dist 7.57458 5.81429 7.15475 10.5524 5.32922 9.07935 13.1936 9.2313 9.49653 5.31024 numMergedOcc 0
25 mol 142 unq 1 iso 0 dist 7.57458 5.81429 7.15475 10.5524 5.32922 9.07935 12.288 7.73169 7.53854 7.26382 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 7.02715 5.84938 8.87452 9.70079 12.1545 9.17284 6.68061 11.6934 4.9093 6.23493 numMergedOcc 0
27 mol 155 unq 1 iso 0 dist 7.02715 5.84938 8.87452 9.70079 12.1545 9.17284 11.0287 13.4817 6.3437 7.46303 numMergedOcc 0
28 mol 156 unq 0 iso 0 dist 8.81169 8.83831 8.47155 10.3078 5.76755 9.36805 10.1682 10.4649 6.29785 7.44554 numMergedOcc 0
29 mol 156 unq 1 iso 0 dist 8.81169 8.83831 8.47155 13.9983 7.60354 7.55203 10.1682 10.4649 6.29785 9.83699 numMergedOcc 0
30 mol 156 unq 2 iso 0 dist 9.16591 4.95416 7.55203 13.6067 8.38403 9.36805 9.27577 9.83699 6.29785 7.44554 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 8.69888 14.6255 9.8589 14.9263 7.42466 7.24908 11.5099 9.0018 8.22779 7.652 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 8.69888 14.6255 9.8589 14.9263 7.42466 7.24908 5.50014 5.6234 10.5631 9.92231 numMergedOcc 0
33 mol 175 unq 2 iso 0 dist 5.08206 11.5085 9.8589 11.7895 7.42466 7.24908 12.1783 9.0018 8.22779 7.652 numMergedOcc 0
34 mol 175 unq 3 iso 0 dist 5.08206 11.5085 9.8589 11.7895 7.42466 7.24908 7.28617 5.6234 10.5631 9.92231 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 6.56437 10.4999 6.67585 9.2491 4.70378 6.65984 14.2632 8.95269 5.29877 6.57273 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 6.56437 10.4999 6.67585 9.2491 4.70378 6.65984 13.2364 9.99123 6.12232 6.60589 numMergedOcc 0
37 mol 224 unq 2 iso 0 dist 6.23882 12.0368 6.67585 10.6031 4.70378 6.65984 15.0038 8.95269 5.29877 6.57273 numMergedOcc 0
38 mol 224 unq 3 iso 0 dist 6.23882 12.0368 6.67585 10.6031 4.70378 6.65984 16.0618 9.99123 6.12232 6.60589 numMergedOcc 0
39 mol 224 unq 4 iso 0 dist 9.53131 4.63666 6.67585 10.7064 4.70378 6.65984 9.59595 8.95269 5.29877 6.57273 numMergedOcc 0
40 mol 224 unq 5 iso 0 dist 9.53131 4.63666 6.67585 10.7064 4.70378 6.65984 9.40389 9.99123 6.12232 6.60589 numMergedOcc 0
41 mol 224 unq 6 iso 0 dist 9.34636 5.03449 6.67585 9.79616 4.70378 6.65984 5.63485 8.95269 5.29877 6.57273 numMergedOcc 0
42 mol 224 unq 7 iso 0 dist 9.34636 5.03449 6.67585 9.79616 4.70378 6.65984 9.36962 9.99123 6.12232 6.60589 numMergedOcc 0
43 mol 224 unq 8 iso 0 dist 9.79616 5.03449 6.65984 9.34636 4.70378 6.67585 5.63485 6.57273 5.29877 8.95269 numMergedOcc 0
44 mol 235 unq 0 iso 0 dist 7.2346 9.5053 7.32211 15.0241 15.4 9.58736 15.2373 16.4776 9.66021 5.4638 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 6.83152 6.03021 5.38637 5.24313 5.42006 6.55759 12.1448 10.0756 10.4664 7.31233 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 5.24313 6.03021 6.55759 6.83152 5.42006 5.38637 10.8336 11.101 6.20606 6.57393 numMergedOcc 0
47 mol 238 unq 2 iso 0 dist 5.24313 11.3884 7.19008 10.2654 5.34096 7.49471 12.1448 7.31233 5.17471 6.22714 numMergedOcc 0
48 mol 249 unq 0 iso 0 dist 5.78121 4.16447 8.96876 7.29898 8.34718 8.83735 6.6173 11.7594 5.23473 7.57994 numMergedOcc 0
49 mol 249 unq 1 iso 0 dist 5.78121 4.16447 8.96876 7.29898 8.34718 8.83735 8.95486 12.2913 7.38675 6.18582 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 9.58006 15.1483 7.48005 17.4878 12.5353 8.37865 18.8755 12.0576 5.31048 5.30224 numMergedOcc 0
51 mol 272 unq 0 iso 0 dist 9.1118 11.5698 9.09992 10.342 5.40809 6.73206 6.72149 8.46116 5.63139 8.33638 numMergedOcc 0
52 mol 272 unq 1 iso 0 dist 6.94346 5.40622 6.73206 11.7245 5.40809 9.09992 16.0678 13.2494 10.841 9.97651 numMergedOcc 0
53 mol 272 unq 2 iso 0 dist 6.94346 5.40622 6.73206 11.7245 5.40809 9.09992 9.58279 8.33638 5.63139 8.46116 numMergedOcc 0
