0 mol 7 unq 0 iso 0 dist 7.21217 12.4418 9.36807 13.2513 13.2247 6.36911 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 5.84479 5.1298 5.47769 9.18436 6.92781 7.03948 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.84479 5.1298 5.47769 8.67719 5.32694 6.58035 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 8.67719 5.1298 6.58035 9.18436 10.7015 7.03948 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 8.67719 5.1298 6.58035 5.84479 5.32694 5.47769 numMergedOcc 0
5 mol 16 unq 4 iso 0 dist 8.67719 13.18 8.41862 13.4596 5.74188 8.16785 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 9.69454 8.47464 6.00439 13.6876 7.83352 6.20943 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 9.69454 8.47464 6.00439 10.6173 10.8007 7.82528 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.56737 17.0485 8.89374 12.9335 5.35073 8.63333 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 9.56737 17.0485 8.89374 17.1344 8.62958 6.46761 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 9.56737 17.0485 8.89374 23.3119 14.176 9.73139 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 6.6003 5.78769 9.54144 12.2258 10.6748 8.68586 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 8.50159 9.76372 7.51358 12.4093 7.40574 8.32298 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.514 5.02124 5.81965 7.84888 5.02055 7.06013 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.514 5.02124 5.81965 13.0248 8.95922 9.70512 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 7.84888 5.02124 7.06013 9.514 5.02055 5.81965 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 7.84888 5.02124 7.06013 13.0248 12.4494 9.70512 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 7.88564 5.07584 4.76815 11.4822 6.90824 9.39469 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 6.78459 7.59628 4.76815 13.6378 6.90824 9.39469 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 8.42445 10.453 8.71128 11.2415 5.59517 7.52743 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 7.70533 12.4058 6.62561 14.7579 7.22206 7.63616 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 9.54928 13.0595 7.75534 16.0128 7.12167 9.06011 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 8.97145 10.4276 6.91348 14.5129 6.63273 8.6243 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.5874 4.96935 6.91348 11.4628 6.63273 8.6243 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 9.93572 5.36419 7.27371 11.7961 6.43459 6.95323 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 6.42756 9.82776 6.93652 11.6435 5.67306 9.54444 numMergedOcc 0
26 mol 142 unq 0 iso 0 dist 7.57458 5.81429 7.15475 10.5524 5.32922 9.07935 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 9.61081 6.50232 7.31468 5.46922 5.72828 7.7056 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 5.46922 6.50232 7.7056 9.61081 5.72828 7.31468 numMergedOcc 0
29 mol 155 unq 0 iso 0 dist 7.02715 5.84938 8.87452 9.70079 12.1545 9.17284 numMergedOcc 0
30 mol 155 unq 1 iso 0 dist 7.02715 5.84938 8.87452 9.83554 4.66274 9.87281 numMergedOcc 0
31 mol 155 unq 2 iso 0 dist 7.02715 9.52867 7.68368 9.83554 4.66274 8.27111 numMergedOcc 0
32 mol 156 unq 0 iso 0 dist 8.81169 8.83831 8.47155 10.3078 5.76755 9.36805 numMergedOcc 0
33 mol 156 unq 1 iso 0 dist 8.81169 8.83831 8.47155 13.9983 7.60354 7.55203 numMergedOcc 0
34 mol 156 unq 2 iso 0 dist 9.16591 4.95416 7.55203 12.7959 7.60354 8.47155 numMergedOcc 0
35 mol 156 unq 3 iso 0 dist 9.16591 4.95416 7.55203 13.6067 8.38403 9.36805 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 8.69888 14.6255 9.8589 14.9263 7.42466 7.24908 numMergedOcc 0
37 mol 175 unq 1 iso 0 dist 5.08206 11.5085 9.8589 11.7895 7.42466 7.24908 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 6.56437 10.4999 6.67585 9.2491 4.70378 6.65984 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 6.23882 12.0368 6.67585 10.6031 4.70378 6.65984 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 9.53131 4.63666 6.67585 10.7064 4.70378 6.65984 numMergedOcc 0
41 mol 224 unq 3 iso 0 dist 9.34636 5.03449 6.67585 9.79616 4.70378 6.65984 numMergedOcc 0
42 mol 224 unq 4 iso 0 dist 9.79616 5.03449 6.65984 9.34636 4.70378 6.67585 numMergedOcc 0
43 mol 235 unq 0 iso 0 dist 7.2346 9.5053 7.32211 15.0241 15.4 9.58736 numMergedOcc 0
44 mol 235 unq 1 iso 0 dist 7.2346 9.5053 7.32211 18.2941 14.4107 9.43058 numMergedOcc 0
45 mol 235 unq 2 iso 0 dist 7.2346 9.5053 7.32211 17.002 11.3789 8.75735 numMergedOcc 0
46 mol 235 unq 3 iso 0 dist 7.2346 9.5053 7.32211 10.5214 7.218 6.98084 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 6.83152 6.03021 5.38637 5.24313 5.42006 6.55759 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 5.24313 6.03021 6.55759 6.83152 5.42006 5.38637 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 5.24313 5.27451 7.02475 13.7608 12.9854 8.96531 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 5.24313 11.3884 7.19008 10.2654 5.34096 7.49471 numMergedOcc 0
51 mol 238 unq 4 iso 0 dist 9.31417 18.4149 9.29858 17.1026 10.1648 9.68513 numMergedOcc 0
52 mol 238 unq 5 iso 0 dist 5.56719 14.7671 9.29858 12.9351 10.1648 9.68513 numMergedOcc 0
53 mol 249 unq 0 iso 0 dist 5.78121 4.16447 8.96876 7.29898 8.34718 8.83735 numMergedOcc 0
54 mol 249 unq 1 iso 0 dist 7.29898 4.16447 8.83735 5.78121 8.34718 8.96876 numMergedOcc 0
55 mol 249 unq 2 iso 0 dist 8.91685 6.74838 8.83735 10.4288 8.34718 8.96876 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 9.58006 15.1483 7.48005 17.4878 12.5353 8.37865 numMergedOcc 0
57 mol 272 unq 0 iso 0 dist 9.1118 11.5698 9.09992 10.342 5.40809 6.73206 numMergedOcc 0
58 mol 272 unq 1 iso 0 dist 6.94346 5.40622 6.73206 11.7245 5.40809 9.09992 numMergedOcc 0
59 mol 276 unq 0 iso 0 dist 9.05218 11.6861 8.76347 10.8173 8.88126 9.38971 numMergedOcc 0
60 mol 276 unq 1 iso 0 dist 9.05218 11.6861 8.76347 13.7797 5.50479 8.71541 numMergedOcc 0
