0 mol 1 unq 0 iso 0 dist 8.40848 8.27735 6.35409 9.02078 6.4181 10.488 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 4.76147 6.88695 8.34347 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.66602 9.72289 5.3315 5.93227 6.88695 8.34347 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 9.49676 9.70612 16.3301 6.12182 5.73067 15.1366 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 9.49676 6.46781 11.1811 6.12182 5.73067 10.3882 numMergedOcc 0
5 mol 38 unq 2 iso 0 dist 9.49676 8.19077 5.79134 6.12182 5.73067 7.50293 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 4.90079 6.31203 4.8042 4.53359 7.75811 5.83409 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 7.62621 8.00525 10.2967 14.5145 8.86252 16.1797 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 8.36172 7.2461 6.16247 5.33778 9.73174 11.4939 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 8.36172 9.26333 5.92996 5.33778 9.73174 11.8454 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 8.21127 5.11612 6.75472 6.86762 5.02717 5.83991 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 7.99121 5.22628 6.59772 6.8104 4.98864 6.11741 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 6.30982 5.22628 4.86477 6.8104 7.95871 6.11741 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 6.30982 5.22628 4.86477 5.79342 9.80286 9.55515 numMergedOcc 0
14 mol 115 unq 4 iso 0 dist 6.12404 5.22628 5.24961 5.79342 6.48328 9.55515 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.86691 9.05674 4.84607 4.32516 9.3894 6.5107 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.7232 8.94909 5.37072 8.76089 9.50322 7.11802 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 6.80087 5.82404 8.00618 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 11.3653 8.1088 17.7194 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 5.08796 6.43406 4.3158 10.9813 9.84952 7.81386 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.93515 6.43406 4.3226 10.7307 7.41378 9.81747 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 6.06763 6.62848 4.53126 12.6996 9.878 14.0188 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 5.76319 7.84536 4.57882 7.23208 9.99314 10.1741 numMergedOcc 0
23 mol 196 unq 1 iso 0 dist 5.30132 7.07723 4.57882 11.373 9.99314 10.1741 numMergedOcc 0
24 mol 196 unq 2 iso 0 dist 8.36119 8.69629 6.70722 4.76275 9.99314 9.62191 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 5.03598 5.66569 6.27581 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 5.92025 5.99137 9.01197 5.03598 6.11137 6.27581 numMergedOcc 0
27 mol 236 unq 2 iso 0 dist 5.92025 5.99137 9.01197 5.6375 7.89744 10.9008 numMergedOcc 0
28 mol 236 unq 3 iso 0 dist 9.04819 5.99137 14.6016 5.6375 8.6417 10.9008 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 7.79013 8.18588 7.20238 10.2076 9.10633 7.4631 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 8.62592 5.31858 7.52881 6.60345 5.73834 6.42289 numMergedOcc 0
31 mol 258 unq 1 iso 0 dist 8.62592 5.71851 12.3042 6.60345 5.73834 10.1675 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 8.93002 5.29682 6.64729 5.56656 8.06771 8.13497 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 8.93002 6.20344 9.79538 5.56656 8.06771 7.88519 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 6.83706 8.69345 10.7398 9.03495 6.42725 11.5135 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 9.83854 7.45719 5.58514 15.3375 7.04833 12.0259 numMergedOcc 0
36 mol 265 unq 1 iso 0 dist 8.09021 6.78702 5.75478 4.75685 9.772 8.4218 numMergedOcc 0
37 mol 265 unq 2 iso 0 dist 6.98451 8.59825 5.75478 11.5105 9.772 8.4218 numMergedOcc 0
38 mol 265 unq 3 iso 0 dist 6.98451 7.83102 9.74462 11.5105 9.772 16.8861 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 5.76223 8.44108 9.68222 6.62955 9.64124 14.7413 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 5.76223 8.44108 9.68222 9.5588 9.30668 17.4207 numMergedOcc 0
