0 mol 39 unq 0 iso 0 dist 8.19733 8.56189 5.00813 6.24515 5.14532 9.02925 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 8.19733 8.56189 5.00813 12.6651 5.93538 9.76979 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 8.57165 7.29013 5.00813 13.709 5.14532 9.02925 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 8.57165 7.29013 5.00813 9.48031 5.93538 9.76979 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 9.87677 5.27573 9.71949 6.04903 7.97193 8.21895 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.87194 8.85802 9.81554 10.0297 9.16969 6.46549 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.05798 3.71283 8.34342 7.26955 7.34151 6.21165 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.87025 12.2671 7.62197 13.2572 11.7884 6.21165 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 5.85818 3.71283 7.62197 7.26955 11.7884 6.21165 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 6.40901 4.19541 7.22 9.30424 5.99865 7.2932 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 8.1069 8.77123 8.71836 12.6446 7.20408 6.73137 numMergedOcc 0
11 mol 146 unq 1 iso 0 dist 8.1069 8.77123 8.71836 9.85845 6.00811 5.95148 numMergedOcc 0
12 mol 146 unq 2 iso 0 dist 8.68349 6.19717 8.71836 6.50043 7.20408 6.73137 numMergedOcc 0
13 mol 146 unq 3 iso 0 dist 8.68349 6.19717 8.71836 9.44952 6.00811 5.95148 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 6.39981 5.30823 8.06621 9.6096 10.3886 4.6512 numMergedOcc 0
15 mol 158 unq 1 iso 0 dist 6.39981 5.30823 8.06621 12.3466 10.8263 9.45696 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 8.89822 15.2041 8.62437 15.6651 7.86543 9.02127 numMergedOcc 0
17 mol 188 unq 0 iso 0 dist 7.48284 4.61059 6.18257 11.4648 5.0782 8.34477 numMergedOcc 0
18 mol 188 unq 1 iso 0 dist 7.48284 4.61059 6.18257 9.33696 5.87427 8.4784 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 8.15936 8.56728 5.20846 16.7877 9.86517 8.78623 numMergedOcc 0
20 mol 198 unq 1 iso 0 dist 8.16598 6.76174 5.20846 15.2254 9.86517 8.78623 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 5.42696 3.72865 5.19567 10.5073 8.46033 7.13824 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 7.39624 3.92649 6.20118 7.69296 4.23527 5.05626 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 7.25677 6.50127 8.78893 6.43034 5.43373 6.23115 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 6.73126 6.50127 4.61089 6.43034 7.17477 6.23115 numMergedOcc 0
