0 mol 7 unq 0 iso 0 dist 7.38748 7.15287 6.8464 5.13744 8.77133 6.06176 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.38748 7.8893 9.15183 5.13744 8.77133 9.37101 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.09251 6.64544 6.60595 7.88306 9.11751 6.67334 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 5.24742 7.38126 6.7877 9.57876 8.0329 6.61841 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 5.24742 7.38126 6.7877 9.00393 9.99417 6.04894 numMergedOcc 0
5 mol 55 unq 2 iso 0 dist 9.29433 10.7639 6.7877 15.5369 8.0329 6.61841 numMergedOcc 0
6 mol 55 unq 3 iso 0 dist 9.29433 10.7639 6.7877 14.6227 9.99417 6.04894 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 5.66803 6.33529 9.15386 10.0913 7.77991 8.16184 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 5.66803 6.33529 9.15386 5.68492 5.1488 7.53039 numMergedOcc 0
9 mol 64 unq 2 iso 0 dist 8.85416 10.9729 9.15386 8.21081 7.77991 8.16184 numMergedOcc 0
10 mol 64 unq 3 iso 0 dist 8.85416 10.9729 9.15386 11.6323 5.1488 7.53039 numMergedOcc 0
11 mol 64 unq 4 iso 0 dist 8.52643 15.4665 8.75668 11.5903 7.7933 5.35421 numMergedOcc 0
12 mol 64 unq 5 iso 0 dist 8.52643 9.48441 9.64871 11.5903 7.7933 5.68303 numMergedOcc 0
13 mol 64 unq 6 iso 0 dist 8.52643 4.76091 9.95118 11.5903 7.7933 10.0075 numMergedOcc 0
14 mol 64 unq 7 iso 0 dist 5.41357 9.95527 8.75668 6.10515 7.7933 5.35421 numMergedOcc 0
15 mol 64 unq 8 iso 0 dist 5.41357 6.41829 9.64871 6.10515 7.7933 5.68303 numMergedOcc 0
16 mol 64 unq 9 iso 0 dist 5.41357 6.13923 9.95118 6.10515 7.7933 10.0075 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 8.90896 18.2252 9.41049 13.1044 6.96647 9.77992 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 7.45777 12.3394 6.3777 7.17416 8.49022 13.2006 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 9.52061 5.99695 8.59695 9.66773 9.50776 11.0567 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 8.94921 4.58643 8.92292 11.703 5.8277 11.5179 numMergedOcc 0
21 mol 140 unq 1 iso 0 dist 8.94921 11.6044 8.67876 11.703 5.8277 5.58533 numMergedOcc 0
22 mol 140 unq 2 iso 0 dist 8.94921 15.8205 9.11235 11.703 5.8277 4.6872 numMergedOcc 0
23 mol 140 unq 3 iso 0 dist 8.94921 10.0917 8.15118 11.703 5.8277 5.5723 numMergedOcc 0
24 mol 140 unq 4 iso 0 dist 7.77669 13.7353 8.92292 7.81164 5.8277 11.5179 numMergedOcc 0
25 mol 140 unq 5 iso 0 dist 7.77669 12.5321 8.67876 7.81164 5.8277 5.58533 numMergedOcc 0
26 mol 140 unq 6 iso 0 dist 7.77669 11.9489 9.11235 7.81164 5.8277 4.6872 numMergedOcc 0
27 mol 140 unq 7 iso 0 dist 7.77669 4.95731 8.15118 7.81164 5.8277 5.5723 numMergedOcc 0
28 mol 147 unq 0 iso 0 dist 5.32865 12.348 9.88662 10.7118 9.80032 11.7284 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 7.2833 5.34788 7.04524 6.76675 7.87044 6.08211 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 6.62514 9.44151 9.24822 10.239 6.35305 5.42869 numMergedOcc 0
31 mol 204 unq 1 iso 0 dist 6.20044 6.12296 9.24822 5.64245 6.35305 5.42869 numMergedOcc 0
32 mol 204 unq 2 iso 0 dist 9.41996 7.6966 9.24822 8.90839 6.35305 5.42869 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 6.23677 6.87755 7.49783 4.10214 7.49889 5.70973 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 6.23677 6.87755 7.49783 6.78713 9.89345 7.98696 numMergedOcc 0
35 mol 224 unq 2 iso 0 dist 9.04741 12.3271 7.49783 8.4959 7.49889 5.70973 numMergedOcc 0
36 mol 224 unq 3 iso 0 dist 9.04741 12.3271 7.49783 10.2748 9.89345 7.98696 numMergedOcc 0
37 mol 224 unq 4 iso 0 dist 7.31608 11.0252 7.49783 9.93861 7.49889 5.70973 numMergedOcc 0
38 mol 224 unq 5 iso 0 dist 7.31608 11.0252 7.49783 7.09867 9.89345 7.98696 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 8.46734 6.03322 6.43546 9.64214 8.64747 6.26168 numMergedOcc 0
40 mol 239 unq 1 iso 0 dist 8.46734 6.03322 6.43546 5.91397 5.91933 5.39146 numMergedOcc 0
41 mol 243 unq 0 iso 0 dist 4.64178 5.94295 9.35819 10.8902 8.75924 16.6239 numMergedOcc 0
42 mol 243 unq 1 iso 0 dist 9.16988 16.7683 9.35819 5.83664 8.75924 16.6239 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 9.86267 7.02254 6.11671 5.92281 9.60653 7.44916 numMergedOcc 0
