0 mol 7 unq 0 iso 0 dist 7.15434 10.7937 8.72114 13.7477 10.515 9.97624 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.46207 5.63833 6.46104 12.2589 11.0099 7.3022 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.52313 8.06801 8.51663 9.98411 5.0364 6.42834 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.96238 4.936 7.16773 7.93388 6.28202 5.84875 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.90776 5.47738 5.37007 6.58062 9.97281 7.1539 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 6.24392 5.23583 6.30546 10.8729 7.01257 7.36017 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.99949 10.5805 8.70296 14.3562 7.90484 9.2235 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 5.68636 5.52764 7.92304 10.6429 6.34186 9.80845 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 9.19499 5.02458 9.44367 9.40225 7.29758 5.81122 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 7.11647 5.02458 7.90267 9.40225 8.67156 5.81122 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 7.47975 4.02361 9.17787 6.68441 6.49376 6.72852 numMergedOcc 0
11 mol 159 unq 1 iso 0 dist 7.47975 9.90351 8.4858 10.4366 4.57561 5.9032 numMergedOcc 0
12 mol 159 unq 2 iso 0 dist 7.47975 9.90351 8.4858 6.68441 6.49376 8.52082 numMergedOcc 0
13 mol 174 unq 0 iso 0 dist 6.04817 13.6211 9.87122 14.169 8.37744 7.47932 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 9.30874 6.25083 9.06217 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 8.90247 6.56225 6.2479 5.54873 4.77278 7.13252 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 6.58792 6.56225 6.22122 9.30874 10.5753 9.06217 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 6.58792 6.56225 6.22122 5.54873 5.88819 7.13252 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.89211 7.46856 8.50102 6.37335 8.78722 7.17337 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.67917 5.11183 7.57812 7.90344 5.11565 8.90076 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 5.67917 5.11183 7.57812 11.8385 13.0842 6.87131 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 5.67917 5.11183 7.57812 11.5829 13.171 8.09718 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 5.67917 6.32646 8.69104 7.90344 5.11565 6.62002 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 5.67917 6.32646 8.69104 11.8385 13.0842 9.69818 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 5.67917 6.32646 8.69104 11.5829 13.171 6.73446 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 5.70546 4.99186 7.23721 6.10834 5.34838 9.24367 numMergedOcc 0
