0 mol 27 unq 0 iso 0 dist 7.96312 5.24778 7.18409 4.7474 7.45532 5.80624 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.96312 12.0951 6.21163 4.7474 7.45532 10.2629 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 7.67129 7.83976 7.18409 9.37609 7.45532 5.80624 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 7.67129 12.7455 6.21163 9.37609 7.45532 10.2629 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 4.5673 4.44247 7.97558 8.72181 9.32898 10.9773 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.66506 8.49428 6.91141 5.67493 6.48232 4.73318 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.18097 14.4152 5.79841 11.155 8.70863 13.3069 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 8.83135 6.87788 5.79841 15.3247 8.70863 13.3069 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 7.98039 5.46236 4.96613 5.09562 6.62972 6.4628 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.13614 5.74375 9.10677 5.02505 6.76575 5.70461 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 4.86767 3.97585 7.78223 8.16908 9.35942 10.8586 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 4.86767 3.97585 7.78223 9.20674 7.42482 11.0397 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.03113 4.44169 6.63731 6.39362 8.79367 8.27695 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 9.2638 13.3535 6.63731 8.61652 8.79367 8.27695 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 8.64019 11.5499 9.37051 6.87987 6.03352 9.0525 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 8.49831 6.78674 9.62138 5.49264 5.06613 10.149 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 8.49831 5.79944 5.11444 5.49264 5.06613 5.77969 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.31025 9.75316 8.62413 7.6506 7.14263 5.16577 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 9.0087 3.96207 8.62413 8.07237 7.14263 5.16577 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 8.2232 11.3094 6.69623 7.55044 9.14486 7.03009 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 8.2232 9.69198 6.21951 7.55044 9.14486 7.29508 numMergedOcc 0
21 mol 206 unq 2 iso 0 dist 6.07229 8.73597 6.69623 5.84258 9.14486 7.03009 numMergedOcc 0
22 mol 206 unq 3 iso 0 dist 6.07229 4.95828 6.21951 5.84258 9.14486 7.29508 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 7.46122 9.69089 9.05637 5.41948 5.37796 8.06536 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 6.83927 6.32212 6.67239 4.127 7.38566 8.14788 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 9.25162 6.32212 6.23146 4.127 8.28466 8.14788 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 9.29788 8.79627 9.6479 4.60689 8.15091 12.0513 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 9.50983 5.05272 9.6479 9.18036 8.15091 12.0513 numMergedOcc 0
