0 mol 9 unq 0 iso 0 dist 8.77074 7.84963 4.09467 17.4675 9.27637 10.9235 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.47968 7.6974 12.4511 12.6153 8.72023 15.0643 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.70141 8.6586 4.21283 13.2653 4.93188 8.23075 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.70141 8.6586 4.21283 5.80023 9.24958 10.551 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.42713 5.10693 12.5638 17.674 9.81831 21.9971 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.42713 5.10693 12.5638 15.232 9.12858 18.9177 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.42713 5.10693 12.5638 12.5871 9.4523 17.12 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.42713 6.58814 12.4215 17.674 9.81831 21.7795 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 8.42713 6.58814 12.4215 15.232 9.12858 18.5963 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 8.42713 6.58814 12.4215 12.5871 9.4523 17.9688 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 8.42713 6.13459 5.99863 17.674 9.81831 14.4051 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 8.42713 6.13459 5.99863 15.232 9.12858 14.2439 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 8.42713 6.13459 5.99863 12.5871 9.4523 11.2863 numMergedOcc 0
13 mol 93 unq 9 iso 0 dist 8.42713 7.54391 6.15015 17.674 9.81831 15.275 numMergedOcc 0
14 mol 93 unq 10 iso 0 dist 8.42713 7.54391 6.15015 15.232 9.12858 15.2216 numMergedOcc 0
15 mol 93 unq 11 iso 0 dist 8.42713 7.54391 6.15015 12.5871 9.4523 14.6786 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 9.27951 9.58434 9.74634 5.89379 8.93905 10.2878 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 9.27951 9.16089 9.23272 5.89379 8.93905 6.42623 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 5.06687 6.81449 3.94083 5.59872 9.02318 11.9962 numMergedOcc 0
19 mol 148 unq 1 iso 0 dist 5.06687 6.81449 3.94083 9.27313 9.74542 13.3633 numMergedOcc 0
20 mol 148 unq 2 iso 0 dist 5.06687 6.81449 3.94083 8.61198 7.97543 11.4505 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 5.09809 6.87593 3.99423 9.25213 9.6606 13.3193 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 5.09809 6.87593 3.99423 8.68422 7.85526 11.3898 numMergedOcc 0
23 mol 150 unq 2 iso 0 dist 5.09809 6.87593 3.99423 5.56996 8.94552 11.9796 numMergedOcc 0
24 mol 162 unq 0 iso 0 dist 8.48559 9.067 5.21512 6.46702 6.20182 7.93088 numMergedOcc 0
25 mol 163 unq 0 iso 0 dist 5.80513 9.37245 12.99 4.12904 8.38738 8.16252 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 7.47107 8.76748 14.7863 10.2633 6.26839 17.6834 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 7.47107 8.76748 14.7863 9.36943 8.12346 18.0997 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 7.47107 8.76748 14.7863 7.72655 8.83356 10.6393 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 7.47107 8.76748 14.7863 4.57265 8.2654 12.5685 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 7.31388 9.49242 15.3751 3.84723 5.37446 11.1783 numMergedOcc 0
31 mol 210 unq 1 iso 0 dist 7.31388 9.25184 7.61953 3.84723 5.37446 6.85824 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 5.63154 5.96259 7.93548 5.15837 8.29305 10.6394 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 5.63154 5.96259 7.93548 8.33297 6.43341 13.2372 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 6.89391 5.28731 6.89311 4.16039 5.31728 5.03601 numMergedOcc 0
