0 mol 28 unq 0 iso 0 dist 9.27002 9.60216 10.9474 6.27083 13.7455 7.61351 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.27002 9.60216 10.9474 11.0686 15.5124 9.6147 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.81466 8.27298 12.3968 6.81472 12.4185 8.62842 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.81466 8.27298 12.3968 5.56632 13.1444 8.56111 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 7.38082 8.56111 10.2533 11.2292 15.6103 8.62842 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 7.38082 8.56111 10.2533 5.56632 10.0988 8.27298 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.49909 9.01516 13.124 13.9967 17.4348 7.31255 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.26758 8.6964 16.5201 3.39244 10.1377 9.45186 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.40608 9.31118 12.3511 10.7046 18.0423 8.44104 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.59797 9.85967 13.6418 15.6041 20.641 9.7578 numMergedOcc 0
10 mol 209 unq 0 iso 0 dist 8.65539 9.93982 11.3106 9.5473 16.3357 9.9518 numMergedOcc 0
11 mol 209 unq 1 iso 0 dist 7.757 9.9518 9.44664 9.5473 12.9945 9.93982 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.64455 9.58197 9.42893 15.9135 19.1163 9.90943 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 9.86599 9.90943 4.61443 15.9135 14.0525 9.58197 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.0166 9.61475 9.38497 7.23892 12.2066 9.68034 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 7.0166 9.61475 9.38497 11.9527 15.084 8.1579 numMergedOcc 0
16 mol 220 unq 2 iso 0 dist 8.75468 9.61475 12.2857 7.23892 8.60479 9.68034 numMergedOcc 0
17 mol 220 unq 3 iso 0 dist 8.75468 9.61475 12.2857 11.9527 12.6902 8.1579 numMergedOcc 0
18 mol 220 unq 4 iso 0 dist 8.60479 9.68034 12.2857 7.23892 8.75468 9.61475 numMergedOcc 0
19 mol 220 unq 5 iso 0 dist 8.60479 9.68034 12.2857 6.35488 12.6902 8.1579 numMergedOcc 0
20 mol 220 unq 6 iso 0 dist 7.96032 8.1579 5.96592 11.9527 14.3517 9.61475 numMergedOcc 0
21 mol 220 unq 7 iso 0 dist 7.96032 8.1579 5.96592 6.35488 11.9142 9.68034 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 8.64393 7.25321 6.75927 7.35721 10.597 9.90062 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 7.88102 7.84195 15.0876 14.4022 18.9569 9.2174 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 7.93694 7.84195 13.7974 14.4022 17.6733 9.2174 numMergedOcc 0
