0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 8.75346 9.67164 8.0744 13.6482 7.12508 8.15894 12.8006 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 12.1567 6.72502 12.0268 8.09311 9.94429 11.6434 5.11636 8.24948 12.6165 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.20058 12.1567 6.72502 9.10781 9.05357 6.88355 11.6434 5.11636 8.24948 12.7305 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.17086 8.33667 9.93832 4.9903 6.6263 4.55347 13.0289 10.8828 7.24352 8.34145 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.77018 7.79856 8.63486 12.6833 9.2898 15.8558 5.91948 6.15355 5.07125 11.0852 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 7.34465 7.97183 6.69515 11.1983 8.07097 5.25982 13.7901 13.2918 6.77921 7.92216 numMergedOcc 0
6 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 7.21999 9.36259 5.34453 11.27 4.48323 6.07821 10.3977 numMergedOcc 0
7 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 4.29894 9.03441 8.89297 12.5713 6.04871 6.34234 11.3524 numMergedOcc 0
8 mol 195 unq 1 iso 0 dist 8.3705 9.80071 7.62942 4.29894 9.03441 8.89297 10.6913 8.04534 7.87972 12.8025 numMergedOcc 0
9 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 5.19262 5.23634 7.3164 10.4038 4.1511 5.28771 6.09335 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 9.38753 8.09178 5.52379 11.5133 9.07475 6.50998 11.0533 4.48415 6.53286 11.9473 numMergedOcc 0
11 mol 238 unq 1 iso 0 dist 9.38753 8.09178 5.52379 12.2802 6.99888 5.63944 11.0533 4.48415 6.53286 9.51483 numMergedOcc 0
12 mol 264 unq 0 iso 0 dist 6.8902 5.86656 6.14323 9.58347 8.29262 5.82131 11.1879 13.2035 7.14086 9.78237 numMergedOcc 0
