0 mol 43 unq 0 iso 0 dist 9.17086 9.79386 12.6657 6.1032 7.39848 14.5234 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 6.68311 5.19407 4.7874 4.61081 4.86198 6.79423 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.96602 5.19407 9.35725 4.61081 8.98867 6.79423 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 5.57265 6.50622 5.34874 6.75646 7.69072 8.42738 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 5.57265 4.45433 3.68023 6.75646 7.69072 8.79979 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.09906 7.60619 3.83059 4.91617 5.25027 4.15789 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.09906 7.60619 3.83059 8.05938 4.37025 4.808 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 9.04546 8.69371 6.34994 9.05868 9.06601 4.91212 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 9.04546 8.69371 6.34994 9.16288 5.98809 9.34782 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.46684 9.22398 4.18693 8.51521 5.93278 5.86379 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 8.46684 9.22398 4.18693 11.3635 6.19918 6.21029 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.22024 9.3873 5.77384 5.55879 6.09063 8.5609 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.57582 9.66726 5.77384 3.40022 6.09063 8.5609 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.15806 4.29411 4.30308 8.62303 7.13783 9.29842 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 8.98668 9.87415 17.6924 11.089 7.52531 20.9604 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 9.02643 8.24401 13.6258 13.5912 9.19385 17.8052 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 9.02643 8.24401 13.6258 3.99655 7.14243 11.9519 numMergedOcc 0
17 mol 253 unq 2 iso 0 dist 9.02643 8.24401 13.6258 5.37143 5.77511 10.2265 numMergedOcc 0
18 mol 253 unq 3 iso 0 dist 9.02643 8.24401 13.6258 6.92436 7.81382 12.3129 numMergedOcc 0
19 mol 253 unq 4 iso 0 dist 9.02643 8.44543 10.0874 13.5912 9.19385 14.1344 numMergedOcc 0
20 mol 253 unq 5 iso 0 dist 9.02643 8.44543 10.0874 3.99655 7.14243 10.9358 numMergedOcc 0
21 mol 253 unq 6 iso 0 dist 9.02643 8.44543 10.0874 5.37143 5.77511 8.66299 numMergedOcc 0
22 mol 253 unq 7 iso 0 dist 9.02643 8.44543 10.0874 6.92436 7.81382 11.5048 numMergedOcc 0
23 mol 253 unq 8 iso 0 dist 8.68368 8.24401 9.11811 15.6704 8.94786 17.0829 numMergedOcc 0
24 mol 253 unq 9 iso 0 dist 8.68368 8.24401 9.11811 13.5912 9.1927 17.8052 numMergedOcc 0
25 mol 253 unq 10 iso 0 dist 8.68368 8.24401 9.11811 3.99655 9.60694 11.9519 numMergedOcc 0
26 mol 253 unq 11 iso 0 dist 8.68368 8.24401 9.11811 5.37143 9.27311 10.2265 numMergedOcc 0
27 mol 253 unq 12 iso 0 dist 8.68368 8.44543 5.10494 15.6704 8.94786 13.7163 numMergedOcc 0
28 mol 253 unq 13 iso 0 dist 8.68368 8.44543 5.10494 13.5912 9.1927 14.1344 numMergedOcc 0
29 mol 253 unq 14 iso 0 dist 8.68368 8.44543 5.10494 3.99655 9.60694 10.9358 numMergedOcc 0
30 mol 253 unq 15 iso 0 dist 8.68368 8.44543 5.10494 5.37143 9.27311 8.66299 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.57619 9.31843 9.53031 7.70492 9.18798 15.4497 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 8.57619 9.31843 9.53031 10.388 8.25897 16.5972 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 6.36173 8.90276 6.91483 12.2565 8.12739 14.8343 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 6.36173 8.90276 6.91483 10.2664 6.09853 11.9455 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 6.36173 8.15409 4.36268 12.2565 8.12739 10.7103 numMergedOcc 0
36 mol 274 unq 3 iso 0 dist 6.36173 8.15409 4.36268 10.2664 6.09853 10.1071 numMergedOcc 0
