0 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 4.76147 6.88695 8.34347 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.66602 9.72289 5.3315 5.93227 6.88695 8.34347 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.49676 8.19077 5.79134 6.12182 5.73067 7.50293 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 4.90079 6.31203 4.8042 4.53359 7.75811 5.83409 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 6.86762 5.02717 5.83991 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 7.99121 5.22628 6.59772 6.8104 4.98864 6.11741 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 6.30982 5.22628 4.86477 6.8104 7.95871 6.11741 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.86691 9.05674 4.84607 4.32516 9.3894 6.5107 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 5.7232 8.94909 5.37072 8.76089 9.50322 7.11802 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 6.80087 5.82404 8.00618 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 5.08796 6.43406 4.3158 10.9813 9.84952 7.81386 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 8.36119 8.69629 6.70722 4.76275 9.99314 9.62191 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 5.03598 5.66569 6.27581 numMergedOcc 0
13 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 5.03598 6.11137 6.27581 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 7.79013 8.18588 7.20238 10.2076 9.10633 7.4631 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.62592 5.31858 7.52881 6.60345 5.73834 6.42289 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 8.93002 5.29682 6.64729 5.56656 8.06771 8.13497 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 8.93002 6.20344 9.79538 5.56656 8.06771 7.88519 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 8.09021 6.78702 5.75478 4.75685 9.772 8.4218 numMergedOcc 0
19 mol 265 unq 1 iso 0 dist 6.98451 8.59825 5.75478 11.5105 9.772 8.4218 numMergedOcc 0
