0 mol 21 unq 0 iso 0 dist 8.58489 4.80464 6.97295 13.2502 9.14995 8.85347 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.77251 5.75835 6.45963 10.7104 4.53728 6.25914 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 8.77251 5.75835 6.45963 7.62383 5.70356 6.03755 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 7.74299 5.75835 8.70819 10.7104 8.33206 6.25914 numMergedOcc 0
4 mol 55 unq 3 iso 0 dist 7.74299 5.75835 8.70819 7.62383 4.83051 6.03755 numMergedOcc 0
5 mol 55 unq 4 iso 0 dist 5.64864 11.54 8.49449 10.6224 5.53748 6.25914 numMergedOcc 0
6 mol 55 unq 5 iso 0 dist 5.64864 11.54 8.49449 14.2443 10.307 6.03755 numMergedOcc 0
7 mol 55 unq 6 iso 0 dist 8.93435 11.54 6.45963 10.6224 4.53728 6.25914 numMergedOcc 0
8 mol 55 unq 7 iso 0 dist 8.93435 11.54 6.45963 14.2443 5.70356 6.03755 numMergedOcc 0
9 mol 55 unq 8 iso 0 dist 4.74307 5.36545 8.49449 6.81152 5.53748 6.25914 numMergedOcc 0
10 mol 55 unq 9 iso 0 dist 4.74307 5.36545 8.49449 9.68045 10.307 6.03755 numMergedOcc 0
11 mol 55 unq 10 iso 0 dist 6.36082 5.36545 6.45963 6.81152 4.53728 6.25914 numMergedOcc 0
12 mol 55 unq 11 iso 0 dist 6.36082 5.36545 6.45963 9.68045 5.70356 6.03755 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 8.84518 9.73877 8.97036 15.0627 13.8837 6.495 numMergedOcc 0
14 mol 132 unq 1 iso 0 dist 8.84518 9.73877 8.97036 18.0955 14.8844 9.43748 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 8.99498 7.12637 6.06276 14.0844 8.1066 8.34161 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 8.99498 7.12637 6.06276 10.2234 5.155 6.95381 numMergedOcc 0
17 mol 158 unq 2 iso 0 dist 8.95898 11.9599 6.06276 16.9211 8.1066 8.34161 numMergedOcc 0
18 mol 158 unq 3 iso 0 dist 8.95898 11.9599 6.06276 13.8047 5.155 6.95381 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.01913 6.4634 9.64006 8.14644 15.7646 8.9077 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 6.27573 7.95443 7.50128 10.5062 4.66984 9.10813 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 9.51909 9.39044 9.34785 9.51272 5.59478 7.54586 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 6.33726 4.93146 8.80931 12.7097 11.2855 9.48968 numMergedOcc 0
23 mol 281 unq 1 iso 0 dist 6.60861 8.1531 8.80931 14.1327 11.2855 9.48968 numMergedOcc 0
24 mol 281 unq 2 iso 0 dist 9.60142 5.98252 6.97131 9.37845 10.7592 9.64422 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.19754 5.87542 5.96033 10.2092 6.94744 7.30618 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.19754 5.87542 5.96033 10.2092 6.94744 7.30618 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.19754 5.87542 5.96033 10.2092 6.94744 7.30618 numMergedOcc 0
