0 mol 15 unq 0 iso 0 dist 9.05123 5.48991 6.35926 6.09263 6.82187 6.78983 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 9.09251 4.82459 6.35926 6.64544 6.60595 6.3431 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.74487 10.026 5.52908 6.76964 9.79966 8.90634 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 8.74487 10.026 5.52908 8.87482 5.52992 7.71372 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 7.44828 4.77227 5.52908 5.7655 9.79966 8.90634 numMergedOcc 0
5 mol 33 unq 3 iso 0 dist 7.44828 4.77227 5.52908 5.62472 5.52992 7.71372 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 7.32913 11.0116 8.16387 6.9067 9.47348 13.9097 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 6.49343 13.0828 7.7106 7.01367 5.41831 8.95233 numMergedOcc 0
8 mol 63 unq 1 iso 0 dist 9.78739 7.15477 7.7106 6.60684 5.41831 8.95233 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 5.66803 8.45243 7.32896 6.33529 9.15386 12.2159 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 8.85416 15.3613 7.32896 10.9729 9.15386 12.2159 numMergedOcc 0
11 mol 64 unq 2 iso 0 dist 8.52643 12.4741 7.32896 15.4665 8.75668 5.9853 numMergedOcc 0
12 mol 64 unq 3 iso 0 dist 8.52643 12.4741 7.32896 9.48441 9.64871 6.43864 numMergedOcc 0
13 mol 64 unq 4 iso 0 dist 8.52643 12.4741 7.32896 4.76091 9.95118 10.7211 numMergedOcc 0
14 mol 64 unq 5 iso 0 dist 5.41357 8.05994 7.32896 9.95527 8.75668 5.9853 numMergedOcc 0
15 mol 64 unq 6 iso 0 dist 5.41357 8.05994 7.32896 6.41829 9.64871 6.43864 numMergedOcc 0
16 mol 64 unq 7 iso 0 dist 5.41357 8.05994 7.32896 6.13923 9.95118 10.7211 numMergedOcc 0
17 mol 69 unq 0 iso 0 dist 9.32184 7.913 8.90763 7.88096 7.25721 7.0643 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 7.45777 10.7405 8.31425 12.3394 6.3777 5.4527 numMergedOcc 0
19 mol 105 unq 0 iso 0 dist 6.1083 4.93601 9.16999 11.0473 8.67414 10.0046 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 6.08846 5.77183 6.27699 6.58443 8.88233 5.46354 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 9.19171 5.65976 6.27699 10.4466 8.88233 5.46354 numMergedOcc 0
22 mol 170 unq 0 iso 0 dist 8.10386 8.64721 9.57082 12.9081 9.32245 12.2791 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 8.92801 8.66115 5.86442 4.681 4.71906 4.62576 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 8.92801 6.02642 8.88481 4.681 4.71906 4.80932 numMergedOcc 0
25 mol 195 unq 0 iso 0 dist 7.2833 5.44336 9.02695 5.34788 7.04524 9.9116 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 7.86075 4.9491 8.26735 5.27534 9.19061 5.87366 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 6.62514 4.82283 9.85636 9.44151 9.24822 8.45076 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 6.20044 10.7478 9.85636 6.12296 9.24822 8.45076 numMergedOcc 0
29 mol 204 unq 2 iso 0 dist 9.41996 4.50914 9.85636 7.6966 9.24822 8.45076 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 8.57174 8.20682 9.51136 9.18635 9.9693 12.6492 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 5.25149 13.2522 9.51136 6.19375 5.39218 13.8822 numMergedOcc 0
32 mol 220 unq 2 iso 0 dist 6.80214 7.38726 9.51136 14.1934 9.9693 12.6492 numMergedOcc 0
33 mol 226 unq 0 iso 0 dist 8.52996 4.1635 9.8349 9.00536 5.90092 11.0623 numMergedOcc 0
34 mol 226 unq 1 iso 0 dist 8.52996 9.6805 6.72708 9.00536 5.90092 4.66606 numMergedOcc 0
35 mol 226 unq 2 iso 0 dist 8.52996 6.06315 8.01046 9.00536 5.90092 6.84726 numMergedOcc 0
36 mol 233 unq 0 iso 0 dist 6.9103 12.4027 9.40942 10.2837 7.41931 11.2631 numMergedOcc 0
37 mol 233 unq 1 iso 0 dist 6.9103 5.91692 6.56138 10.2837 7.41931 4.80704 numMergedOcc 0
