0 mol 2 unq 0 iso 0 dist 6.15195 11.5353 9.97181 15.7166 11.9475 5.92719 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41173 5.20935 6.64582 6.22892 6.3027 6.81066 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 7.71924 4.10356 5.92844 12.4023 6.2924 8.94936 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 8.57385 5.9762 4.32161 8.72971 8.45559 8.99376 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 8.57385 4.8101 7.34465 8.72971 8.45559 7.37948 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 8.48435 5.82731 7.33646 14.5603 13.5588 8.82676 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 8.48435 5.82731 7.33646 13.1721 11.1351 8.17522 numMergedOcc 0
7 mol 127 unq 2 iso 0 dist 8.48435 5.82731 7.33646 11.2973 6.08871 8.14341 numMergedOcc 0
8 mol 127 unq 3 iso 0 dist 8.48435 5.82731 7.33646 8.41848 5.35462 6.54744 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 7.60912 4.72814 7.2108 8.55431 8.50143 6.32159 numMergedOcc 0
10 mol 206 unq 0 iso 0 dist 4.51269 4.91317 5.71819 9.19263 5.12592 9.62822 numMergedOcc 0
11 mol 206 unq 1 iso 0 dist 4.51269 4.91317 5.71819 9.87279 6.57154 7.03546 numMergedOcc 0
12 mol 206 unq 2 iso 0 dist 7.65323 4.91317 8.48679 9.19263 7.40413 9.62822 numMergedOcc 0
13 mol 206 unq 3 iso 0 dist 7.65323 4.91317 8.48679 9.87279 10.8658 7.03546 numMergedOcc 0
14 mol 206 unq 4 iso 0 dist 8.63033 9.30262 7.44186 12.6361 9.0689 7.03546 numMergedOcc 0
15 mol 206 unq 5 iso 0 dist 8.63033 9.30262 7.44186 17.9776 14.4501 9.62822 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 6.24111 10.6912 8.78286 10.8933 5.93275 5.62219 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 9.00343 15.1716 8.78286 14.4164 5.93275 5.62219 numMergedOcc 0
18 mol 210 unq 2 iso 0 dist 6.41444 11.533 8.78286 10.7281 5.93275 5.62219 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 9.81136 13.2303 5.10016 8.47248 4.82712 7.06087 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 9.86417 8.50846 9.27398 9.88212 9.38348 6.48765 numMergedOcc 0
21 mol 219 unq 0 iso 0 dist 4.67452 5.39853 6.65093 8.09769 10.0509 7.68645 numMergedOcc 0
22 mol 219 unq 1 iso 0 dist 4.67452 5.39853 6.65093 7.24832 5.48556 5.75017 numMergedOcc 0
23 mol 219 unq 2 iso 0 dist 4.67452 5.39853 6.65093 10.3945 10.9246 6.12768 numMergedOcc 0
24 mol 219 unq 3 iso 0 dist 4.67452 5.39853 6.65093 12.328 13.5876 7.19159 numMergedOcc 0
25 mol 219 unq 4 iso 0 dist 9.86916 11.6173 6.65093 16.9289 10.0509 7.68645 numMergedOcc 0
26 mol 219 unq 5 iso 0 dist 9.86916 11.6173 6.65093 14.6122 5.48556 5.75017 numMergedOcc 0
27 mol 219 unq 6 iso 0 dist 9.86916 11.6173 6.65093 12.2725 10.9246 6.12768 numMergedOcc 0
28 mol 219 unq 7 iso 0 dist 9.86916 11.6173 6.65093 17.5208 13.5876 7.19159 numMergedOcc 0
29 mol 229 unq 0 iso 0 dist 8.36396 8.08105 6.54801 10.7479 4.84291 6.51465 numMergedOcc 0
30 mol 251 unq 0 iso 0 dist 8.65339 6.36378 8.63134 14.7507 15.4745 9.207 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 6.7897 8.71561 9.55134 9.48968 5.71767 6.49441 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 7.53773 5.25699 5.7378 12.3654 5.91336 8.25636 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 7.13925 5.14397 6.91284 11.8491 5.46465 9.51557 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 4.74716 6.63786 8.45077 11.3708 9.453 8.89057 numMergedOcc 0
35 mol 285 unq 1 iso 0 dist 4.74716 6.63786 8.45077 14.1114 14.5796 7.97266 numMergedOcc 0
