0 mol 60 unq 0 iso 0 dist 8.6492 11.9189 9.34193 6.39094 6.63448 7.32774 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 6.27321 6.38389 6.34966 3.62638 7.98985 4.58473 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 5.20528 6.14753 5.79841 4.78636 5.05893 7.43838 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 5.20528 6.14753 5.79841 7.24335 5.71866 6.41855 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 8.65004 11.2572 9.75656 10.5025 7.67238 12.9599 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 9.86487 15.6815 9.69961 4.9759 8.72725 11.4567 numMergedOcc 0
6 mol 112 unq 2 iso 0 dist 9.86487 15.6815 9.69961 6.59976 6.11407 11.4288 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 6.64416 6.01872 9.99783 4.85767 9.8428 8.93457 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 7.32216 5.42692 7.64854 7.67194 7.30592 5.05503 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 7.51337 9.30655 6.6069 4.36059 6.94762 7.30721 numMergedOcc 0
10 mol 225 unq 1 iso 0 dist 7.51337 9.30655 6.6069 14.1026 9.89167 5.22792 numMergedOcc 0
11 mol 256 unq 0 iso 0 dist 5.58036 8.44971 7.40057 5.52853 6.85663 11.2926 numMergedOcc 0
12 mol 274 unq 0 iso 0 dist 6.74022 9.7346 9.02661 11.3961 8.60027 4.89003 numMergedOcc 0
13 mol 277 unq 0 iso 0 dist 6.71956 7.09461 5.92532 10.3171 9.26157 13.3706 numMergedOcc 0
14 mol 278 unq 0 iso 0 dist 6.9592 5.49004 8.20933 5.90283 9.03998 8.04035 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 5.02385 5.86409 8.16582 5.4988 9.42255 4.62039 numMergedOcc 0
