0 mol 17 unq 0 iso 0 dist 9.2031 5.72584 7.35858 13.0404 9.19031 7.77586 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 7.53599 13.1319 9.33568 11.4329 9.4228 15.8175 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 8.29395 14.4208 9.42165 9.3844 7.39438 5.60021 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 6.51419 10.1586 9.42165 7.33018 7.39438 5.60021 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.75375 9.57172 5.97521 10.3522 8.40483 5.40863 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 7.29373 5.91728 9.14324 5.46715 9.89546 6.6796 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.07389 12.7776 9.97844 5.84171 9.07906 12.2338 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 8.07389 12.7776 9.97844 9.30759 8.75567 4.73635 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 7.94809 10.7844 9.23087 5.53078 9.18809 8.66168 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.35752 6.86446 6.00779 5.53115 5.62694 6.71593 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.82214 6.14753 7.54915 9.53239 8.77199 13.8798 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 7.82214 6.14753 7.54915 13.0232 8.81824 15.5426 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 9.06878 5.86756 4.32161 6.31094 8.99376 8.45559 numMergedOcc 0
13 mol 108 unq 0 iso 0 dist 6.85803 8.67837 9.01604 5.45706 9.13454 12.7166 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 5.27549 7.45509 5.94417 7.36905 8.5457 4.72497 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 5.27549 7.45509 5.94417 6.1358 6.7928 7.00915 numMergedOcc 0
16 mol 120 unq 2 iso 0 dist 5.27549 7.45509 5.94417 8.18801 7.59189 10.878 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 9.1579 13.5193 5.71819 15.3449 9.62822 5.12592 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 9.1579 13.5193 5.71819 13.5094 7.03546 6.57154 numMergedOcc 0
19 mol 206 unq 2 iso 0 dist 9.1579 10.3181 8.48679 15.3449 9.62822 7.40413 numMergedOcc 0
20 mol 206 unq 3 iso 0 dist 9.1579 10.3181 8.48679 13.5094 7.03546 10.8658 numMergedOcc 0
21 mol 206 unq 4 iso 0 dist 9.1579 5.85716 9.86924 13.5094 7.03546 10.814 numMergedOcc 0
22 mol 206 unq 5 iso 0 dist 9.1579 5.85716 9.86924 15.3449 9.62822 13.9485 numMergedOcc 0
23 mol 206 unq 6 iso 0 dist 9.1579 8.09615 7.44186 13.5094 7.03546 9.0689 numMergedOcc 0
24 mol 206 unq 7 iso 0 dist 9.1579 8.09615 7.44186 15.3449 9.62822 14.4501 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 9.64316 14.2723 6.54801 10.7618 6.51465 4.84291 numMergedOcc 0
26 mol 229 unq 1 iso 0 dist 7.69711 10.111 6.54801 5.93705 6.51465 4.84291 numMergedOcc 0
27 mol 264 unq 0 iso 0 dist 6.45486 5.53152 8.90411 6.64458 8.48407 12.1558 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 6.02774 14.401 8.45077 7.8112 7.97266 14.5796 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 6.02774 14.401 8.45077 13.2558 8.89057 9.453 numMergedOcc 0
