0 mol 24 unq 0 iso 0 dist 6.32779 9.74777 6.09311 6.22149 8.10063 8.11143 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.94728 5.11382 3.94196 6.74888 8.88399 5.65754 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.33902 5.11382 13.466 6.74888 15.9522 5.65754 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 8.28713 6.32052 6.96814 4.2096 6.48296 4.07334 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 7.61513 8.51839 3.30756 5.30715 9.12873 7.93498 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.52742 6.56288 3.81285 4.75717 6.27877 7.51319 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.52742 6.56288 3.81285 15.811 10.5834 9.43839 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 7.52742 5.97559 6.17121 12.9091 14.5265 8.66427 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 7.52742 5.97559 6.17121 4.75717 6.27877 8.49887 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 9.00874 8.92653 3.27874 6.11046 6.67776 5.23929 numMergedOcc 0
10 mol 104 unq 0 iso 0 dist 9.71834 9.58427 4.07581 5.83615 7.15143 9.43136 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 5.68841 6.33923 7.42165 10.001 13.8446 8.11813 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.56629 7.65919 4.31929 5.88698 10.5048 9.12145 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 7.56091 7.65919 3.39035 5.88698 10.899 9.12145 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 7.24083 8.06631 6.49874 12.0208 14.5193 8.50362 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 8.27008 6.01995 5.27905 13.2228 13.4646 9.35049 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 9.1717 5.86693 6.8842 8.04699 5.68406 9.57243 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 8.8319 5.86693 5.05002 8.04699 9.46329 9.57243 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 6.21825 4.67031 3.71345 5.34777 9.24242 8.79752 numMergedOcc 0
19 mol 176 unq 1 iso 0 dist 6.21825 8.98043 8.25138 5.34777 9.24242 7.29985 numMergedOcc 0
20 mol 176 unq 2 iso 0 dist 6.21825 6.8243 7.10617 5.34777 9.24242 7.58281 numMergedOcc 0
21 mol 176 unq 3 iso 0 dist 6.21825 8.90797 10.5042 5.34777 9.24242 8.8756 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 6.28379 6.45095 5.74821 5.20211 5.79204 6.33954 numMergedOcc 0
23 mol 233 unq 1 iso 0 dist 9.29279 6.45095 11.8995 5.20211 11.3311 6.33954 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.64578 5.79883 11.457 5.28237 12.3147 5.19729 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 7.02833 5.79883 6.10489 5.28237 10.1672 5.19729 numMergedOcc 0
