0 mol 43 unq 0 iso 0 dist 6.84521 8.90024 5.06502 9.35453 10.7805 13.5667 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.90024 6.84521 5.06502 9.35453 13.5667 10.7805 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 6.84521 6.78532 5.89973 9.35453 10.7805 7.42491 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 6.78532 6.84521 5.89973 9.35453 7.42491 10.7805 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.90024 6.78532 6.45462 9.35453 13.5667 7.42491 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 6.78532 8.90024 6.45462 9.35453 7.42491 13.5667 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 8.30653 6.91739 7.13583 5.76805 10.8634 4.98521 numMergedOcc 0
7 mol 70 unq 0 iso 1 dist 6.91739 8.30653 7.13583 5.76805 4.98521 10.8634 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.96446 6.70686 5.04493 6.15011 8.70803 8.87994 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 6.70686 9.96446 5.04493 6.15011 8.87994 8.70803 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 7.90775 8.49531 14.3902 8.4204 13.3662 6.71199 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 8.49531 7.90775 14.3902 8.4204 6.71199 13.3662 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 8.86938 7.42474 14.5975 8.65004 11.8396 12.2656 numMergedOcc 0
13 mol 112 unq 0 iso 1 dist 7.42474 8.86938 14.5975 8.65004 12.2656 11.8396 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 8.86938 7.42474 14.5975 9.86487 18.0868 5.76986 numMergedOcc 0
15 mol 112 unq 1 iso 1 dist 7.42474 8.86938 14.5975 9.86487 5.76986 18.0868 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.66715 9.00172 8.18495 9.29665 17.3196 16.1302 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 9.00172 8.66715 8.18495 9.29665 16.1302 17.3196 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 4.68975 8.84656 7.11631 7.85849 4.60632 5.29786 numMergedOcc 0
19 mol 134 unq 0 iso 1 dist 8.84656 4.68975 7.11631 7.85849 5.29786 4.60632 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 4.68975 4.9155 5.79898 7.85849 4.60632 5.71679 numMergedOcc 0
21 mol 134 unq 1 iso 1 dist 4.9155 4.68975 5.79898 7.85849 5.71679 4.60632 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.84656 4.9155 5.00817 7.85849 5.29786 5.71679 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 4.9155 8.84656 5.00817 7.85849 5.71679 5.29786 numMergedOcc 0
24 mol 154 unq 0 iso 0 dist 6.44195 7.34207 9.41666 8.85675 10.0639 5.27847 numMergedOcc 0
25 mol 154 unq 0 iso 1 dist 7.34207 6.44195 9.41666 8.85675 5.27847 10.0639 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 6.0639 6.91355 6.85436 6.0685 7.94756 7.02735 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 6.91355 6.0639 6.85436 6.0685 7.02735 7.94756 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 9.03917 6.56775 8.31875 5.98104 5.5163 7.77516 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 6.56775 9.03917 8.31875 5.98104 7.77516 5.5163 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 6.95233 9.61741 13.0015 8.31182 9.2768 5.82477 numMergedOcc 0
31 mol 266 unq 0 iso 1 dist 9.61741 6.95233 13.0015 8.31182 5.82477 9.2768 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 6.95233 5.61056 7.49927 8.31182 9.2768 7.15796 numMergedOcc 0
33 mol 266 unq 1 iso 1 dist 5.61056 6.95233 7.49927 8.31182 7.15796 9.2768 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 9.61741 5.61056 7.0568 8.31182 5.82477 7.15796 numMergedOcc 0
35 mol 266 unq 1 iso 1 dist 5.61056 9.61741 7.0568 8.31182 7.15796 5.82477 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 7.151 8.53324 7.69449 6.71956 6.28695 4.37645 numMergedOcc 0
37 mol 277 unq 0 iso 1 dist 8.53324 7.151 7.69449 6.71956 4.37645 6.28695 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 7.151 7.23956 11.8268 6.71956 6.28695 7.70529 numMergedOcc 0
39 mol 277 unq 1 iso 1 dist 7.23956 7.151 11.8268 6.71956 7.70529 6.28695 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.53324 7.23956 7.08227 6.71956 4.37645 7.70529 numMergedOcc 0
41 mol 277 unq 1 iso 1 dist 7.23956 8.53324 7.08227 6.71956 7.70529 4.37645 numMergedOcc 0
42 mol 284 unq 0 iso 0 dist 9.98268 6.83147 5.87439 6.53769 15.3251 10.6664 numMergedOcc 0
43 mol 284 unq 0 iso 1 dist 6.83147 9.98268 5.87439 6.53769 10.6664 15.3251 numMergedOcc 0
44 mol 284 unq 1 iso 0 dist 9.98268 7.43241 17.2899 6.53769 15.3251 4.50325 numMergedOcc 0
45 mol 284 unq 1 iso 1 dist 7.43241 9.98268 17.2899 6.53769 4.50325 15.3251 numMergedOcc 0
46 mol 284 unq 1 iso 0 dist 6.83147 7.43241 13.5089 6.53769 10.6664 4.50325 numMergedOcc 0
47 mol 284 unq 1 iso 1 dist 7.43241 6.83147 13.5089 6.53769 4.50325 10.6664 numMergedOcc 0
