0 mol 92 unq 0 iso 0 dist 7.44186 4.01477 6.59382 8.20798 4.98716 7.00606 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 5.8785 4.61855 6.69328 5.84244 5.34199 8.46477 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 6.98876 6.08419 6.97361 6.18729 5.07584 7.90328 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 7.1891 7.87269 5.43052 11.0695 5.17209 9.29817 numMergedOcc 0
4 mol 110 unq 1 iso 0 dist 7.67702 10.5488 5.43052 9.58164 5.17209 9.29817 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 5.38954 8.64874 6.81489 9.0428 9.30367 8.0578 numMergedOcc 0
6 mol 123 unq 0 iso 0 dist 6.36344 4.99882 7.97266 9.07289 7.07913 6.7201 numMergedOcc 0
7 mol 123 unq 1 iso 0 dist 8.71375 4.3524 7.97266 10.2206 7.07913 6.7201 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.49611 8.81495 9.63488 13.4856 9.84339 6.73897 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.49611 5.17313 9.31907 11.635 6.8965 8.9344 numMergedOcc 0
10 mol 151 unq 0 iso 0 dist 8.96469 4.20596 9.74969 9.14139 4.18547 8.00027 numMergedOcc 0
11 mol 234 unq 0 iso 0 dist 9.5831 5.55026 9.36753 6.5097 11.9454 7.24774 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 5.59164 6.16765 9.46728 9.13022 6.23871 9.46582 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 5.59164 6.16765 9.46728 12.189 10.1372 9.77231 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 8.82073 14.2092 8.28364 13.3202 6.88405 7.77265 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 8.82073 14.2092 8.28364 20.7997 12.946 9.65322 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 8.13376 11.3955 7.97113 9.6484 11.1732 8.46351 numMergedOcc 0
