0 mol 73 unq 0 iso 0 dist 5.79954 6.66506 5.11416 5.67493 7.04044 6.48232 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 8.20865 7.98039 10.4027 5.09562 5.74854 6.62972 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 7.4371 9.13614 7.20706 5.02505 8.67766 6.76575 numMergedOcc 0
3 mol 158 unq 0 iso 0 dist 8.34161 7.23059 8.22911 6.61554 10.7839 5.8628 numMergedOcc 0
4 mol 158 unq 1 iso 0 dist 6.95381 7.23059 10.1352 6.61554 9.65968 5.8628 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 9.42819 6.80226 10.1865 6.62679 15.3135 7.58035 numMergedOcc 0
6 mol 162 unq 1 iso 0 dist 9.42819 6.80226 10.1865 12.1377 15.0931 8.21989 numMergedOcc 0
7 mol 162 unq 2 iso 0 dist 9.89142 9.31025 4.20425 7.6506 6.20182 7.14263 numMergedOcc 0
8 mol 162 unq 3 iso 0 dist 8.06091 9.31025 12.7318 7.6506 10.2863 7.14263 numMergedOcc 0
9 mol 162 unq 4 iso 0 dist 8.15223 8.54006 11.5958 7.2417 10.2863 8.57005 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 6.01711 6.4751 11.5561 12.6565 18.0501 7.32555 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 8.84671 9.31172 13.2996 10.2708 17.6957 8.03528 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 6.6776 8.79832 8.29015 10.1424 12.6297 5.89564 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 12.0796 6.85441 5.91727 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.27396 8.82861 11.2903 12.0796 16.2661 5.91727 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 5.41948 5.45036 5.37796 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 8.33847 8.85051 5.0515 5.02022 6.41286 6.34832 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 8.53729 9.29788 5.78064 4.60689 7.77998 8.15091 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.07341 9.50983 5.78064 9.18036 7.77998 8.15091 numMergedOcc 0
