0 mol 21 unq 0 iso 0 dist 7.01513 6.50188 5.63735 4.0454 7.05407 3.76294 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.09082 7.9574 5.63735 10.0518 7.05407 3.76294 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.23015 6.84017 5.20109 8.97282 8.07318 4.98822 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.23015 6.84017 5.20109 4.54526 7.44277 5.46578 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.3224 10.8609 5.22979 10.0107 7.27243 4.02746 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 8.3224 10.8609 5.22979 8.43217 8.23784 5.67846 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 5.39587 7.58383 6.88052 10.0272 7.01952 7.68459 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 5.39587 7.58383 6.88052 6.65242 4.58552 5.70782 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 6.09085 13.0367 7.98985 10.6564 5.7369 7.71726 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.91019 5.67536 5.7684 13.2897 8.46627 12.3893 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.91019 5.67536 5.7684 14.1134 9.22208 14.6305 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 6.62354 5.26309 7.56755 7.53887 9.09348 5.92927 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 8.00085 11.4333 7.56755 7.83378 9.09348 5.92927 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 5.05627 4.96213 6.65731 6.83215 7.92216 10.0208 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 9.11314 5.39614 5.06564 15.2752 9.29944 10.0079 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 9.11314 7.44842 7.5373 15.2752 9.29944 9.05366 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.09403 11.5379 7.58375 8.04827 4.61596 7.81466 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 6.27266 6.31156 6.22742 4.7754 8.22795 5.45812 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.63804 8.51744 8.43195 6.42324 8.14294 6.67077 numMergedOcc 0
19 mol 222 unq 1 iso 0 dist 8.61619 8.51744 8.23406 6.42324 5.72 6.67077 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.88009 9.39798 9.26157 5.62605 7.16209 6.64795 numMergedOcc 0
