0 mol 16 unq 0 iso 0 dist 5.84479 5.35079 6.31718 9.18436 6.92781 5.05803 9.76743 11.0298 5.01101 6.42835 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.84479 5.35079 6.31718 9.18436 6.92781 5.05803 6.04677 8.43054 4.65873 6.57331 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.67719 6.53177 5.46498 5.84479 5.32694 7.63133 6.04677 11.1513 9.81307 8.43054 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.74445 14.445 6.20293 13.964 5.06502 5.73819 18.3387 10.0168 5.07458 6.66407 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 9.56737 4.81926 6.35756 5.04521 9.22598 9.87158 8.96727 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 7.84983 11.5882 6.62496 9.56737 4.81926 6.35756 10.2341 9.55996 5.86526 8.01308 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.56737 11.5882 6.35756 7.84983 4.81926 6.62496 5.04521 8.96727 9.87158 9.22598 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 5.83937 6.62193 6.65595 10.9217 6.54743 8.90863 14.5714 12.544 8.27828 9.95132 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 5.83937 6.62193 6.65595 10.9217 6.54743 8.90863 12.0661 7.57295 7.80499 7.48086 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 5.83937 9.96073 6.43294 11.1212 5.67502 8.7531 12.0661 7.57295 8.62476 8.4312 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 8.82095 5.63638 6.65595 6.27749 6.54743 8.90863 4.44758 12.544 8.27828 9.95132 numMergedOcc 0
11 mol 60 unq 4 iso 0 dist 8.82095 5.63638 6.65595 6.27749 6.54743 8.90863 7.32774 7.57295 7.80499 7.48086 numMergedOcc 0
12 mol 60 unq 5 iso 0 dist 8.82095 13.6099 6.43294 10.5768 5.67502 8.7531 7.32774 7.57295 8.62476 8.4312 numMergedOcc 0
13 mol 60 unq 6 iso 0 dist 6.27749 5.63638 8.90863 8.82095 6.54743 6.65595 7.32774 7.48086 7.80499 7.57295 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.74643 5.5332 8.58044 8.21889 7 7.34473 10.4255 11.0751 6.73011 6.29161 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 9.74643 5.5332 8.58044 8.21889 7 7.34473 14.5244 14.3511 13.0886 7.86666 numMergedOcc 0
16 mol 109 unq 2 iso 0 dist 6.86702 5.5332 9.97763 8.21889 8.40993 7.34473 10.4255 13.6787 6.73011 6.29161 numMergedOcc 0
17 mol 109 unq 3 iso 0 dist 6.86702 5.5332 9.97763 8.21889 8.40993 7.34473 14.5244 15.7916 13.0886 7.86666 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 7.70533 14.3476 7.90328 14.7579 7.22206 7.83136 17.1363 10.4223 3.55765 8.19331 numMergedOcc 0
19 mol 117 unq 1 iso 0 dist 7.70533 14.3476 7.90328 16.223 9.3584 7.0603 17.1363 10.4223 3.55765 8.85711 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 19.4361 10.7062 8.40312 17.9394 10.7579 3.98662 9.27976 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 15.1013 10.7062 8.40312 10.5808 10.7579 3.98662 9.27976 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 9.48243 11.6637 9.91388 14.1743 6.761 7.24514 15.5467 12.4934 5.03174 8.26547 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 10.5524 5.32922 5.31024 9.23267 7.81207 4.67662 6.14151 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 10.5524 5.32922 7.26382 9.23267 7.81207 5.81599 6.14151 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 14.5119 7.65448 6.70283 9.0696 6.59889 5.39112 6.70693 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 6.56437 14.2632 8.95269 9.2491 4.70378 6.57273 17.3416 13.2325 7.05804 8.79428 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 6.56437 14.2632 8.95269 17.4981 11.5372 5.78342 17.3416 13.2325 7.05804 6.8692 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 6.23882 15.0038 8.95269 10.6031 4.70378 6.57273 19.3496 13.2325 7.05804 8.79428 numMergedOcc 0
29 mol 224 unq 3 iso 0 dist 6.23882 15.0038 8.95269 17.1183 11.5372 5.78342 19.3496 13.2325 7.05804 6.8692 numMergedOcc 0
30 mol 224 unq 4 iso 0 dist 9.53131 9.59595 8.95269 10.7064 4.70378 6.57273 14.8986 13.2325 7.05804 8.79428 numMergedOcc 0
31 mol 224 unq 5 iso 0 dist 9.53131 9.59595 8.95269 15.1912 11.5372 5.78342 14.8986 13.2325 7.05804 6.8692 numMergedOcc 0
32 mol 224 unq 6 iso 0 dist 9.34636 5.63485 8.95269 9.79616 4.70378 6.57273 12.65 13.2325 7.05804 8.79428 numMergedOcc 0
33 mol 224 unq 7 iso 0 dist 9.34636 5.63485 8.95269 10.0081 11.5372 5.78342 12.65 13.2325 7.05804 6.8692 numMergedOcc 0
34 mol 224 unq 8 iso 0 dist 9.79616 5.63485 6.57273 10.0081 8.49799 5.78342 12.65 8.79428 7.05804 6.8692 numMergedOcc 0
35 mol 224 unq 9 iso 0 dist 9.79616 9.36962 6.60589 14.828 6.77699 6.65832 12.65 8.79428 5.76843 6.99769 numMergedOcc 0
36 mol 224 unq 10 iso 0 dist 9.79616 9.36962 6.60589 10.0081 8.49799 9.16166 12.65 8.79428 5.76843 6.8692 numMergedOcc 0
37 mol 224 unq 11 iso 0 dist 9.29703 4.8786 5.78342 11.1052 8.49799 6.57273 9.56183 6.8692 7.05804 8.79428 numMergedOcc 0
38 mol 224 unq 12 iso 0 dist 9.29703 7.18448 9.16166 13.5897 11.328 6.65832 9.56183 6.8692 5.76843 6.99769 numMergedOcc 0
39 mol 224 unq 13 iso 0 dist 9.29703 7.18448 9.16166 11.1052 8.49799 6.60589 9.56183 6.8692 5.76843 8.79428 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 12.7528 12.8229 7.20604 9.63573 numMergedOcc 0
41 mol 259 unq 1 iso 0 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 9.90573 9.07743 8.8603 7.66153 numMergedOcc 0
42 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 6.77279 4.69778 8.13497 9.90573 7.66153 8.8603 9.07743 numMergedOcc 0
43 mol 259 unq 3 iso 0 dist 7.93997 14.8465 7.46176 13.8509 6.96053 7.88519 7.80863 6.95511 11.6988 9.46361 numMergedOcc 0
44 mol 280 unq 0 iso 0 dist 8.85762 4.95798 6.0664 11.1402 5.51836 6.53701 7.42656 6.86234 4.90315 6.02353 numMergedOcc 0
