0 mol 4 unq 0 iso 0 dist 8.15534 12.7614 8.67981 5.12159 6.12485 11.5212 5.69329 7.88748 9.6245 4.10578 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.15534 12.7614 8.67981 10.7952 9.04027 3.6405 5.69329 7.88748 9.6245 6.87439 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 9.27422 8.33913 6.73481 8.44709 7.50258 9.50033 5.61941 6.04161 3.97609 5.97852 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 7.47105 7.0088 7.17051 11.193 9.2759 5.9683 6.43647 5.9959 3.75291 4.85121 numMergedOcc 0
4 mol 139 unq 0 iso 0 dist 7.83417 4.71927 5.77343 7.11333 8.78382 4.19005 5.21231 7.20542 4.37138 3.82037 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 9.35708 10.7753 5.31333 12.3139 9.2254 4.43567 14.2497 5.27578 9.03587 12.8633 numMergedOcc 0
6 mol 187 unq 0 iso 0 dist 9.55621 10.2744 5.82577 9.61673 5.58167 10.7172 11.4507 5.7938 5.93957 8.06583 numMergedOcc 0
7 mol 187 unq 1 iso 0 dist 9.55621 10.2744 5.82577 12.9459 8.0501 4.75665 11.4507 5.7938 5.93957 3.94358 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 8.82945 15.0721 8.86627 7.41218 7.36571 8.61606 8.2928 5.77035 9.82173 6.62595 numMergedOcc 0
9 mol 192 unq 1 iso 0 dist 8.82945 15.0721 8.86627 16.7139 9.80122 4.25327 8.2928 5.77035 9.82173 9.6618 numMergedOcc 0
10 mol 192 unq 2 iso 0 dist 8.82945 15.0721 8.86627 14.6803 9.17137 4.97164 8.2928 5.77035 9.82173 12.1003 numMergedOcc 0
11 mol 192 unq 3 iso 0 dist 8.82945 12.6382 9.10569 7.41218 7.36571 5.41356 8.2928 5.77035 9.52963 6.62595 numMergedOcc 0
12 mol 192 unq 4 iso 0 dist 8.82945 12.6382 9.10569 16.7139 9.80122 8.1874 8.2928 5.77035 9.52963 9.6618 numMergedOcc 0
13 mol 192 unq 5 iso 0 dist 8.82945 12.6382 9.10569 14.6803 9.17137 4.87986 8.2928 5.77035 9.52963 12.1003 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.58174 10.0944 8.40718 10.9794 6.20044 12.4189 5.10199 5.81438 12.5259 7.35194 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 6.58174 10.0944 8.40718 9.00243 8.41232 12.8445 5.10199 5.81438 12.5259 5.87202 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.54443 8.10536 7.55333 12.5471 5.86839 6.67537 11.0071 6.50586 3.69062 3.73699 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.33143 10.8895 7.47852 8.88571 7.65121 5.9027 5.30128 8.94981 11.1052 11.8703 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 8.33143 10.8895 7.47852 8.88571 7.65121 5.9027 7.291 5.90986 3.60045 4.88404 numMergedOcc 0
19 mol 225 unq 2 iso 0 dist 8.33143 10.8895 7.47852 8.88571 7.65121 5.9027 15.2642 7.50697 10.6169 13.6563 numMergedOcc 0
20 mol 225 unq 3 iso 0 dist 8.33143 11.8099 6.22332 8.88571 7.65121 4.95393 5.30128 8.94981 13.5289 11.8703 numMergedOcc 0
21 mol 225 unq 4 iso 0 dist 8.33143 11.8099 6.22332 8.88571 7.65121 4.95393 7.291 5.90986 6.40342 4.88404 numMergedOcc 0
22 mol 225 unq 5 iso 0 dist 8.33143 11.8099 6.22332 8.88571 7.65121 4.95393 15.2642 7.50697 9.92088 13.6563 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 6.3687 11.0907 7.54614 4.52889 8.74399 12.983 3.70516 8.31266 10.2945 5.27153 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.46926 5.43882 9.33791 4.95934 8.8646 8.55958 5.78744 8.62843 3.79641 9.70494 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 7.29081 15.0113 9.80002 12.2394 5.78262 5.87385 15.3556 8.66133 10.6534 5.53908 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 7.29081 15.0113 9.80002 12.2394 5.78262 5.87385 4.3735 6.95569 15.8245 12.7125 numMergedOcc 0
27 mol 273 unq 2 iso 0 dist 7.29081 15.0113 9.80002 7.5139 7.6489 10.5975 15.3556 8.66133 10.6534 12.7274 numMergedOcc 0
28 mol 273 unq 3 iso 0 dist 7.29081 15.0113 9.80002 7.5139 7.6489 10.5975 4.3735 6.95569 15.8245 10.8576 numMergedOcc 0
29 mol 273 unq 4 iso 0 dist 7.29081 13.9951 6.73794 12.2394 5.78262 3.92089 15.3556 8.66133 3.80794 5.53908 numMergedOcc 0
30 mol 273 unq 5 iso 0 dist 7.29081 13.9951 6.73794 12.2394 5.78262 3.92089 4.3735 6.95569 13.255 12.7125 numMergedOcc 0
31 mol 273 unq 6 iso 0 dist 7.29081 13.9951 6.73794 7.5139 7.6489 12.0094 15.3556 8.66133 3.80794 12.7274 numMergedOcc 0
32 mol 273 unq 7 iso 0 dist 7.29081 13.9951 6.73794 7.5139 7.6489 12.0094 4.3735 6.95569 13.255 10.8576 numMergedOcc 0
33 mol 285 unq 0 iso 0 dist 4.49395 9.78456 5.76796 9.47966 7.872 11.2606 7.14335 5.49829 9.11313 3.05975 numMergedOcc 0
34 mol 285 unq 1 iso 0 dist 4.49395 9.78456 5.76796 9.47966 7.872 11.2606 7.67857 6.24134 6.01574 11.5704 numMergedOcc 0
35 mol 285 unq 2 iso 0 dist 4.49395 9.78456 5.76796 6.49869 6.32984 8.7778 7.14335 5.49829 9.11313 5.76392 numMergedOcc 0
36 mol 285 unq 3 iso 0 dist 4.49395 9.78456 5.76796 6.49869 6.32984 8.7778 7.67857 6.24134 6.01574 4.4744 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 5.04841 6.06665 9.23896 5.19406 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 5.04841 6.06665 9.23896 5.19406 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 5.51191 6.45597 6.53276 5.04841 6.06665 9.23896 5.19406 numMergedOcc 0
