0 mol 15 unq 0 iso 0 dist 4.27439 7.57076 5.82801 7.38118 5.68079 9.93049 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 7.9118 8.35273 9.78953 4.12287 8.55161 11.4665 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 8.24316 6.76158 11.1346 4.3475 7.7871 8.53424 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 8.24316 7.423 10.8275 4.3475 7.7871 7.08766 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 8.24316 5.89257 7.90018 4.3475 7.7871 4.82199 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 9.83301 7.73997 10.1829 9.67906 7.53194 13.1561 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.49678 9.29102 10.1404 11.6027 8.10222 16.6329 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 8.82919 4.74574 9.25177 11.8487 6.68153 12.7104 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 6.31934 8.1717 7.31044 5.12034 7.61377 12.5231 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 5.68303 6.82511 5.08181 3.97203 5.26566 7.7485 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 5.68303 6.82511 5.08181 3.90966 6.27118 9.48425 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.08674 8.26805 11.6853 6.27527 5.91098 7.66068 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.08674 9.68577 15.0489 6.27527 5.91098 9.5043 numMergedOcc 0
13 mol 76 unq 2 iso 0 dist 8.33694 8.26805 4.94673 6.27527 4.86523 7.66068 numMergedOcc 0
14 mol 76 unq 3 iso 0 dist 8.33694 9.68577 5.78236 6.27527 4.86523 9.5043 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.75856 9.57352 14.3183 7.19267 5.6516 14.0875 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 8.60438 7.30934 4.77556 4.3421 8.63446 5.24346 numMergedOcc 0
17 mol 93 unq 0 iso 0 dist 7.65028 8.345 6.97911 7.0652 5.23929 11.0789 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 7.65028 6.06155 5.08254 7.0652 5.23929 8.71366 numMergedOcc 0
19 mol 98 unq 0 iso 0 dist 9.74889 5.91023 7.22521 5.90092 9.45257 6.5816 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 8.25015 8.18193 15.571 6.06647 8.53631 13.4064 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 9.6112 6.91039 7.33175 6.65884 8.10681 10.8164 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 7.88346 5.24882 5.08025 6.03327 5.33772 4.3855 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 7.17789 8.94445 14.3694 16.123 8.99777 22.2003 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 5.16772 7.13397 11.9315 4.38276 6.90472 8.62655 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 5.16772 5.33278 8.79837 4.38276 6.90472 9.01781 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 9.51286 6.9943 5.79323 4.58167 6.48382 6.96692 numMergedOcc 0
27 mol 266 unq 1 iso 0 dist 9.51286 7.36685 7.52317 4.58167 6.48382 8.25286 numMergedOcc 0
28 mol 266 unq 2 iso 0 dist 9.51286 9.03099 9.52953 4.58167 6.48382 9.9965 numMergedOcc 0
29 mol 266 unq 3 iso 0 dist 5.59641 7.51951 12.1427 8.51059 7.36137 12.0398 numMergedOcc 0
30 mol 266 unq 4 iso 0 dist 5.59641 7.51951 12.1427 7.79913 4.95415 12.3639 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 6.92271 7.34927 5.11865 9.69757 4.1545 7.98956 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 6.92271 7.34927 5.11865 10.2113 4.25172 5.86185 numMergedOcc 0
33 mol 277 unq 2 iso 0 dist 8.62666 7.54315 5.11865 7.55695 4.1545 7.98956 numMergedOcc 0
34 mol 277 unq 3 iso 0 dist 8.62666 7.54315 5.11865 6.26644 4.25172 5.86185 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 8.92737 7.33086 8.0693 8.3297 7.94656 13.061 numMergedOcc 0
36 mol 294 unq 1 iso 0 dist 8.92737 7.88971 9.57892 8.3297 7.94656 11.8214 numMergedOcc 0
37 mol 294 unq 2 iso 0 dist 8.92737 6.82335 10.0639 8.3297 7.94656 13.4777 numMergedOcc 0
38 mol 294 unq 3 iso 0 dist 7.15278 9.32126 8.0693 4.63586 7.94656 13.061 numMergedOcc 0
39 mol 294 unq 4 iso 0 dist 7.15278 9.38111 9.57892 4.63586 7.94656 11.8214 numMergedOcc 0
40 mol 294 unq 5 iso 0 dist 7.15278 9.14005 10.0639 4.63586 7.94656 13.4777 numMergedOcc 0
