0 mol 100 unq 0 iso 0 dist 6.97361 8.57112 6.30345 5.89399 7.88564 6.84197 numMergedOcc 0
1 mol 100 unq 1 iso 0 dist 8.52125 8.57112 5.23 5.89399 6.78459 6.84197 numMergedOcc 0
2 mol 108 unq 0 iso 0 dist 6.79804 9.10985 13.2894 8.29763 13.6985 9.13454 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 5.43052 4.78944 7.33204 3.94206 9.12995 6.60331 numMergedOcc 0
4 mol 110 unq 1 iso 0 dist 5.43052 4.78944 7.33204 7.58348 8.39607 9.22311 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.44788 6.29634 12.8122 12.1192 20.2439 8.20715 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 9.44788 6.29634 12.8122 5.3154 12.1173 6.16081 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.21256 4.80778 5.57013 13.46 6.11955 8.75049 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.3243 6.58803 5.57013 13.7612 6.11955 8.75049 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 8.95239 9.96967 5.57013 12.9605 6.11955 8.75049 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 6.23615 6.31523 5.57013 4.64588 6.11955 8.75049 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.46716 8.58421 3.88898 9.79072 9.61081 9.3169 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 5.46716 8.58421 3.88898 5.80488 5.46922 5.5639 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.71223 9.33272 13.0654 14.7094 16.7935 9.83935 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 9.08095 9.05875 13.3022 7.65735 15.0407 7.06087 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 4.90407 8.71535 8.27718 5.44171 5.00515 9.18589 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 7.279 5.68936 9.43294 4.24014 11.128 7.27415 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 8.03655 6.46774 3.97894 7.602 8.1498 8.2179 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 8.80418 7.81415 12.1217 11.0354 17.8532 8.25636 numMergedOcc 0
