0 mol 14 unq 0 iso 0 dist 7.0208 10.5465 9.58196 5.8449 8.84686 5.76302 12.1294 5.53425 9.7022 11.9706 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.0208 10.5465 9.58196 5.8449 8.84686 5.76302 9.64431 4.53725 9.04767 9.6726 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 7.28563 12.3645 9.58196 8.29358 8.84686 5.76302 12.5485 5.53425 9.7022 11.9706 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 7.28563 12.3645 9.58196 8.29358 8.84686 5.76302 8.51112 4.53725 9.04767 9.6726 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 6.08283 8.09311 11.6226 16.8105 10.0952 6.86014 16.0162 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 6.99919 9.05357 13.1949 16.8105 10.0952 6.86014 16.8554 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 11.0512 6.66407 5.07458 8.47617 5.06502 6.20293 10.0168 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.99509 8.14351 5.73819 11.0512 6.66407 5.07458 5.73331 5.89973 8.93915 10.9975 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 3.73561 5.38524 5.61579 11.2215 5.47421 7.32874 8.69057 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.66055 5.76106 6.81627 3.73561 5.38524 5.61579 14.5289 9.7274 9.55426 13.1897 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 8.46609 4.72836 6.65595 12.2249 7.57295 7.80499 12.0878 6.54743 8.90863 7.48086 numMergedOcc 0
11 mol 60 unq 1 iso 0 dist 8.46609 12.4802 6.43294 12.2249 7.57295 8.62476 18.3818 10.1562 8.33063 12.8147 numMergedOcc 0
12 mol 60 unq 2 iso 0 dist 8.46609 12.4802 6.43294 12.2249 7.57295 8.62476 13.7633 5.67502 8.7531 8.4312 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.13273 14.1434 8.03644 3.84897 8.27883 15.6249 15.9036 8.41707 7.27724 15.6447 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.13273 14.1434 8.03644 5.78182 5.75428 12.4896 15.9036 8.41707 7.27724 14.0772 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 8.13273 14.1434 8.03644 12.5746 8.57395 14.2178 15.9036 8.41707 7.27724 14.1515 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 8.13273 14.1434 8.03644 16.9294 9.85409 8.78079 15.9036 8.41707 7.27724 10.3132 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 3.85674 6.24825 6.95773 11.7895 8.02349 6.11741 10.0255 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 3.85674 6.24825 6.01673 12.9567 10.8507 7.30858 13.22 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 3.85674 6.24825 6.01673 11.7895 8.02349 7.88312 10.0255 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 5.22628 10.0419 9.33865 3.82475 6.39384 6.63111 11.2519 7.69052 5.83991 9.42082 numMergedOcc 0
21 mol 115 unq 4 iso 0 dist 5.22628 6.8104 6.11741 3.82475 6.39384 6.07067 11.2519 7.69052 7.88312 9.42082 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 4.0844 5.58833 9.00231 14.4108 9.05135 9.61051 14.5521 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 8.29673 5.78974 7.24514 10.2739 8.26547 5.03174 6.53153 6.761 9.91388 12.4934 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 8.29673 5.78974 7.24514 10.2739 8.26547 5.03174 6.29975 7.6656 9.52634 13.5471 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 8.29673 9.35671 8.22656 10.2739 8.26547 4.88025 11.5292 5.61668 6.82262 9.05342 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 4.00111 7.06025 6.42973 8.57378 5.34677 6.43573 10.0638 numMergedOcc 0
27 mol 178 unq 1 iso 0 dist 5.41229 4.51874 6.69288 4.00111 7.06025 6.42973 10.1979 11.7381 7.17202 13.2692 numMergedOcc 0
28 mol 178 unq 2 iso 0 dist 5.41229 4.51874 6.69288 4.00111 7.06025 6.42973 13.0631 14.0703 8.81551 15.0672 numMergedOcc 0
29 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 4.77116 9.78634 9.53265 9.74252 5.76246 7.00794 12.8149 numMergedOcc 0
30 mol 192 unq 1 iso 0 dist 6.44896 4.94984 5.59424 4.65378 5.64942 6.35474 9.74252 5.76246 7.00794 6.97962 numMergedOcc 0
31 mol 192 unq 2 iso 0 dist 6.44896 4.94984 5.59424 5.48435 7.43054 5.25965 9.74252 5.76246 7.00794 6.79229 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 8.9413 12.4455 9.45496 14.075 7.81215 12.4252 6.15754 5.88703 6.56247 11.6391 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 8.9413 14.0876 6.7625 14.075 7.81215 5.75498 6.15754 5.88703 9.36357 11.6391 numMergedOcc 0
34 mol 234 unq 2 iso 0 dist 4.91961 11.5103 9.45496 4.84686 7.81215 12.4252 10.2233 5.88703 6.56247 11.6391 numMergedOcc 0
35 mol 234 unq 3 iso 0 dist 4.91961 4.98993 6.7625 4.84686 7.81215 5.75498 10.2233 5.88703 9.36357 11.6391 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 13.9834 9.3206 4.27181 11.0371 7.28249 8.03456 10.1317 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 13.9834 9.3206 4.89609 11.0371 7.28249 6.84306 10.1317 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 13.9834 9.3206 10.5774 11.0371 7.28249 9.99038 10.1317 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 5.13757 9.07743 8.8603 6.20344 4.69778 7.88519 7.66153 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 10.4532 9.63573 7.20604 5.29682 4.69778 8.13497 12.8229 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 5.13757 7.66153 8.8603 5.29682 4.69778 8.13497 9.07743 numMergedOcc 0
42 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 9.81388 6.02353 4.90315 14.0039 5.51836 6.0664 6.86234 numMergedOcc 0
