0 mol 14 unq 0 iso 0 dist 8.60571 11.3111 9.04767 16.1898 10.3326 9.31271 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 9.31271 10.3326 9.04767 16.1898 11.3111 8.60571 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 8.59049 5.70228 4.7319 9.15653 5.40044 6.28033 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 6.28033 5.40044 4.7319 9.15653 5.70228 8.59049 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 5.26018 10.3287 7.34143 16.0906 13.9113 7.70026 numMergedOcc 0
5 mol 52 unq 0 iso 1 dist 7.70026 13.9113 7.34143 16.0906 10.3287 5.26018 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 7.1203 6.03647 7.34143 12.6699 13.9113 7.70026 numMergedOcc 0
7 mol 52 unq 1 iso 1 dist 7.70026 13.9113 7.34143 12.6699 6.03647 7.1203 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 15.3732 11.6369 6.7212 numMergedOcc 0
9 mol 72 unq 0 iso 1 dist 6.7212 11.6369 9.96708 15.3732 15.0607 6.68311 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 14.1085 5.92158 8.96916 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 8.96916 5.92158 6.45675 14.1085 6.89293 8.92577 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 14.1085 5.92158 5.70279 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 5.70279 5.92158 7.47343 14.1085 12.0555 8.92577 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.56324 15.1093 6.45675 13.638 5.92158 8.96916 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 8.96916 5.92158 6.45675 13.638 15.1093 9.56324 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 13.638 5.92158 5.70279 numMergedOcc 0
17 mol 100 unq 3 iso 1 dist 5.70279 5.92158 7.47343 13.638 16.8752 9.56324 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 9.14994 8.12649 7.0318 numMergedOcc 0
19 mol 117 unq 0 iso 1 dist 7.0318 8.12649 9.84395 9.14994 5.34484 8.81172 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 7.55428 4.6251 8.62648 numMergedOcc 0
21 mol 119 unq 0 iso 1 dist 8.62648 4.6251 8.73993 7.55428 10.5726 8.88255 numMergedOcc 0
22 mol 142 unq 0 iso 0 dist 7.15087 5.50176 5.31024 13.0533 6.3846 9.14908 numMergedOcc 0
23 mol 142 unq 0 iso 1 dist 9.14908 6.3846 5.31024 13.0533 5.50176 7.15087 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 7.11647 5.59399 7.66148 10.9621 9.75709 9.68507 numMergedOcc 0
25 mol 156 unq 0 iso 1 dist 9.68507 9.75709 7.66148 10.9621 5.59399 7.11647 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 9.01934 4.77446 6.83046 numMergedOcc 0
27 mol 239 unq 0 iso 1 dist 6.83046 4.77446 6.16342 9.01934 7.02319 8.61729 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.9706 6.50871 6.42289 10.7357 5.13233 8.21585 numMergedOcc 0
29 mol 258 unq 0 iso 1 dist 8.21585 5.13233 6.42289 10.7357 6.50871 8.9706 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 9.95681 5.79827 8.02547 13.8468 10.3933 8.17205 numMergedOcc 0
31 mol 261 unq 0 iso 1 dist 8.17205 10.3933 8.02547 13.8468 5.79827 9.95681 numMergedOcc 0
32 mol 261 unq 1 iso 0 dist 8.17205 7.8624 6.05727 13.8468 5.79827 9.05762 numMergedOcc 0
33 mol 261 unq 1 iso 1 dist 9.05762 5.79827 6.05727 13.8468 7.8624 8.17205 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 8.78883 7.48637 9.10818 11.5007 5.55557 8.30175 numMergedOcc 0
35 mol 274 unq 0 iso 1 dist 8.30175 5.55557 9.10818 11.5007 7.48637 8.78883 numMergedOcc 0
