0 mol 43 unq 0 iso 0 dist 8.25984 9.36759 8.86201 14.6904 16.7083 9.07906 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.25984 9.36759 8.86201 12.0121 15.9066 8.75567 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 5.78962 9.00799 7.15588 11.5252 13.535 9.61935 numMergedOcc 0
3 mol 120 unq 0 iso 0 dist 9.66753 5.85006 9.42691 11.8343 16.689 8.5457 numMergedOcc 0
4 mol 120 unq 1 iso 0 dist 9.66753 5.85006 9.42691 8.40633 15.7168 6.7928 numMergedOcc 0
5 mol 120 unq 2 iso 0 dist 9.66753 5.85006 9.42691 6.60352 15.359 7.59189 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.98151 7.34368 11.2884 10.345 12.4667 8.82676 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 8.98151 7.34368 11.2884 12.9049 16.5986 8.17522 numMergedOcc 0
8 mol 127 unq 2 iso 0 dist 8.98151 7.34368 11.2884 12.7518 18.9651 8.14341 numMergedOcc 0
9 mol 127 unq 3 iso 0 dist 8.98151 7.34368 11.2884 4.87509 12.982 6.54744 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.57285 9.87656 9.02958 14.7987 16.3269 8.86966 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 9.57285 9.87656 9.02958 10.8051 13.8996 5.7527 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 7.07348 7.41387 6.86194 4.80775 11.6264 9.53821 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 8.98459 7.80955 8.44832 8.36842 14.9976 9.48488 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.88067 8.86708 8.18231 7.52343 11.7308 5.62219 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.57712 6.57898 5.80442 6.19375 7.31105 4.96654 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 7.20255 6.57898 6.80972 6.19375 10.2676 4.96654 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 5.97988 5.74939 3.8619 6.70321 6.08709 8.20295 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 9.37276 5.74939 5.30197 6.70321 13.3653 8.20295 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 6.6537 9.55911 9.19415 4.55824 9.75313 7.80754 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 9.08719 9.55911 5.32839 4.55824 6.08709 7.80754 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.57305 7.17822 10.3067 7.99403 11.2135 8.13183 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 8.57305 7.17822 10.3067 6.51074 5.81927 6.78929 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 7.88405 9.83528 10.9468 7.42796 14.1753 9.51557 numMergedOcc 0
