0 mol 4 unq 0 iso 0 dist 8.15534 11.5591 4.88114 5.12159 6.12485 9.84838 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.15534 11.5591 4.88114 10.7952 9.04027 7.03689 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.48775 16.5806 8.99402 5.88107 9.78153 17.1926 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.71324 13.6999 9.3473 10.7791 8.86433 12.8692 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.5663 12.6498 6.08228 12.0987 5.66803 5.88036 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 7.70037 13.7644 8.36667 5.65257 8.70964 11.5923 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 7.96207 4.70213 8.36667 13.133 8.70964 11.5923 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.23755 12.5791 8.4438 10.3397 7.58027 9.96367 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.23755 12.5791 8.4438 8.31117 4.34694 9.65371 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 6.62798 6.32124 9.10245 10.7803 9.90256 5.83874 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 6.62798 6.32124 9.10245 5.34066 5.63748 7.43534 numMergedOcc 0
11 mol 87 unq 2 iso 0 dist 9.94718 10.9415 9.10245 13.2349 9.90256 5.83874 numMergedOcc 0
12 mol 87 unq 3 iso 0 dist 9.94718 10.9415 9.10245 5.22028 5.63748 7.43534 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 5.8915 8.5691 7.81042 5.29804 8.078 8.96379 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 5.8915 8.5691 7.81042 8.4824 6.56481 5.73608 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.79014 4.97361 9.6874 5.41029 6.54778 4.84565 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.47105 5.33627 5.12189 11.193 9.2759 10.8516 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 7.47105 10.6706 7.50126 11.193 9.2759 5.35551 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 6.85063 6.69773 9.13646 5.38327 5.32865 4.61905 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 6.4413 13.2694 9.71692 9.68187 9.18753 11.8278 numMergedOcc 0
20 mol 150 unq 0 iso 0 dist 6.62609 13.3379 9.73708 9.76535 9.15244 11.6537 numMergedOcc 0
21 mol 165 unq 0 iso 0 dist 7.22838 14.3514 9.59989 5.97663 6.85551 9.94274 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 9.36549 12.9479 7.04604 5.42089 6.77641 9.94485 numMergedOcc 0
23 mol 189 unq 1 iso 0 dist 9.36549 12.9479 7.04604 9.94975 7.54658 4.92169 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 5.60195 8.66923 7.86207 5.84371 9.89039 9.09963 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 5.60195 8.66923 7.86207 12.9073 8.57174 14.3078 numMergedOcc 0
26 mol 220 unq 2 iso 0 dist 7.87359 5.3178 7.86207 4.72275 9.89039 9.09963 numMergedOcc 0
27 mol 220 unq 3 iso 0 dist 7.87359 5.3178 7.86207 15.2936 8.57174 14.3078 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 6.3687 12.3798 7.20862 4.52889 8.74399 12.3908 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 5.46484 8.95567 7.6402 5.81446 7.74348 13.5224 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 8.80671 5.98568 7.6402 14.8289 7.74348 13.5224 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 8.49961 13.8894 8.34832 13.284 8.48545 14.2079 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 7.16232 10.121 9.174 7.52886 7.26758 10.9643 numMergedOcc 0
33 mol 245 unq 0 iso 0 dist 8.03294 6.5213 7.26913 8.2332 9.96585 6.25662 numMergedOcc 0
34 mol 245 unq 1 iso 0 dist 8.03294 6.5213 7.26913 9.39435 7.27022 4.38291 numMergedOcc 0
35 mol 245 unq 2 iso 0 dist 8.03294 6.5213 7.26913 15.5115 7.95061 11.8346 numMergedOcc 0
36 mol 245 unq 3 iso 0 dist 8.03294 13.9182 6.41862 8.2332 9.96585 14.6391 numMergedOcc 0
37 mol 245 unq 4 iso 0 dist 8.03294 13.9182 6.41862 9.39435 7.27022 10.1523 numMergedOcc 0
38 mol 245 unq 5 iso 0 dist 8.03294 13.9182 6.41862 15.5115 7.95061 3.53109 numMergedOcc 0
39 mol 245 unq 6 iso 0 dist 8.03294 13.8285 8.69377 8.2332 9.96585 17.4904 numMergedOcc 0
40 mol 245 unq 7 iso 0 dist 8.03294 13.8285 8.69377 9.39435 7.27022 13.6404 numMergedOcc 0
41 mol 245 unq 8 iso 0 dist 8.03294 13.8285 8.69377 15.5115 7.95061 9.71014 numMergedOcc 0
42 mol 261 unq 0 iso 0 dist 8.36611 5.10045 6.41477 8.31476 8.88741 10.1876 numMergedOcc 0
43 mol 261 unq 1 iso 0 dist 9.66298 17.0555 9.70222 6.94755 4.85199 10.6318 numMergedOcc 0
44 mol 261 unq 2 iso 0 dist 9.66298 17.0555 9.70222 17.3605 9.72159 4.97878 numMergedOcc 0
45 mol 266 unq 0 iso 0 dist 7.72433 10.8867 9.63694 5.86368 6.57444 13.1376 numMergedOcc 0
46 mol 266 unq 1 iso 0 dist 7.72433 10.8867 9.63694 4.95934 7.9555 14.6225 numMergedOcc 0
47 mol 266 unq 2 iso 0 dist 7.72433 7.8329 6.58277 5.86368 6.57444 5.91091 numMergedOcc 0
48 mol 266 unq 3 iso 0 dist 7.72433 7.8329 6.58277 4.95934 7.9555 3.93133 numMergedOcc 0
49 mol 266 unq 4 iso 0 dist 9.46926 11.7148 8.61786 4.95934 8.8646 9.94141 numMergedOcc 0
50 mol 266 unq 5 iso 0 dist 9.46926 7.8329 8.42706 4.95934 8.8646 3.93133 numMergedOcc 0
51 mol 277 unq 0 iso 0 dist 9.44017 13.998 8.81903 10.4689 8.04712 4.81768 numMergedOcc 0
