0 mol 28 unq 0 iso 0 dist 8.74311 5.9948 11.8164 6.75443 5.81034 9.06486 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.74311 5.9948 11.8164 9.02508 12.5318 12.9129 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.74311 5.9948 11.8164 8.44081 16.156 9.1051 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 5.47336 8.65462 4.3421 5.73722 6.40044 8.35818 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 5.41906 7.19406 4.76522 7.44944 4.89975 8.73361 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 6.46565 5.78051 3.70978 8.41359 7.33183 8.12928 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.50682 7.83864 8.11301 9.38762 4.69046 4.73293 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.65864 9.0101 9.02965 9.47924 15.8508 15.1383 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.75212 6.4822 9.27523 6.82371 10.898 7.05228 numMergedOcc 0
9 mol 180 unq 0 iso 0 dist 9.1469 8.34083 9.91046 9.82683 14.9065 5.76764 numMergedOcc 0
10 mol 180 unq 1 iso 0 dist 8.19806 9.13402 7.00418 7.11542 7.91332 7.28833 numMergedOcc 0
11 mol 180 unq 2 iso 0 dist 5.9064 9.13402 9.62042 7.11542 9.57014 7.28833 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.09552 9.37765 11.641 9.92602 17.414 8.95042 numMergedOcc 0
13 mol 187 unq 0 iso 0 dist 8.52941 8.45366 11.7358 9.59166 5.90469 9.56476 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 6.01466 9.02212 5.42437 9.41747 5.56525 10.161 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.96332 9.22999 5.94358 6.99973 5.20646 9.87475 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 8.45743 6.97966 4.25483 9.50208 7.46512 9.00595 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 7.72115 8.73545 5.5881 7.67027 13.8535 15.6432 numMergedOcc 0
18 mol 233 unq 1 iso 0 dist 7.72115 8.14581 5.60683 7.67027 13.8535 10.9337 numMergedOcc 0
19 mol 233 unq 2 iso 0 dist 6.43615 8.73545 11.4518 7.67027 8.90227 15.6432 numMergedOcc 0
20 mol 233 unq 3 iso 0 dist 6.43615 8.14581 3.75722 7.67027 8.90227 10.9337 numMergedOcc 0
