0 mol 39 unq 0 iso 0 dist 8.19733 6.24515 5.14532 11.2159 8.55553 10.6649 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 8.19733 6.24515 5.14532 8.56189 5.00813 9.02925 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 8.57165 9.48031 5.93538 11.4688 8.55553 13.9607 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 8.57165 9.48031 5.93538 7.29013 5.00813 9.76979 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.62481 9.52272 6.66661 3.75088 8.64444 12.874 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 9.87677 6.04903 7.97193 5.27573 9.71949 8.21895 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 7.54496 9.56752 6.44963 9.67572 9.08732 12.9984 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.05798 7.26955 7.34151 3.71283 8.34342 6.21165 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.85818 7.26955 11.7884 3.71283 7.62197 6.21165 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 6.40901 9.30424 5.99865 4.19541 7.22 7.2932 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 8.68349 6.50043 7.20408 6.19717 8.71836 6.73137 numMergedOcc 0
11 mol 146 unq 1 iso 0 dist 8.68349 9.44952 6.00811 6.19717 8.71836 5.95148 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 6.39981 9.6096 10.3886 5.30823 8.06621 4.6512 numMergedOcc 0
13 mol 188 unq 0 iso 0 dist 7.48284 9.33696 5.87427 4.61059 6.18257 8.4784 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 7.39624 7.69296 4.23527 3.92649 6.20118 5.05626 numMergedOcc 0
15 mol 237 unq 0 iso 0 dist 7.33613 9.27395 5.90415 5.11578 8.96803 12.0818 numMergedOcc 0
16 mol 237 unq 1 iso 0 dist 7.33613 9.27395 5.90415 13.2415 7.95072 10.2985 numMergedOcc 0
17 mol 237 unq 2 iso 0 dist 7.33613 7.55103 9.2471 5.11578 8.96803 10.0241 numMergedOcc 0
18 mol 237 unq 3 iso 0 dist 7.33613 7.55103 9.2471 13.2415 7.95072 15.3628 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.25677 6.43034 5.43373 6.50127 8.78893 6.23115 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 6.73126 6.43034 7.17477 6.50127 4.61089 6.23115 numMergedOcc 0
