0 mol 12 unq 0 iso 0 dist 8.99098 13.4452 9.64703 6.70723 7.96154 7.10076 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 8.99098 6.70723 7.96154 13.4452 9.64703 7.10076 numMergedOcc 0
2 mol 74 unq 0 iso 0 dist 9.33277 7.81335 9.50176 10.8158 7.56791 5.2199 numMergedOcc 0
3 mol 74 unq 0 iso 1 dist 9.33277 10.8158 7.56791 7.81335 9.50176 5.2199 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.41491 11.3245 9.36989 11.1197 8.6728 12.1484 numMergedOcc 0
5 mol 98 unq 0 iso 1 dist 8.41491 11.1197 8.6728 11.3245 9.36989 12.1484 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.90594 7.26787 8.86071 5.24052 9.82087 4.97169 numMergedOcc 0
7 mol 120 unq 0 iso 1 dist 9.90594 5.24052 9.82087 7.26787 8.86071 4.97169 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.46875 6.68239 5.50364 7.74794 8.7301 8.09035 numMergedOcc 0
9 mol 131 unq 0 iso 1 dist 7.46875 7.74794 8.7301 6.68239 5.50364 8.09035 numMergedOcc 0
10 mol 180 unq 0 iso 0 dist 9.26812 7.69346 8.86377 13.8772 8.47156 10.1976 numMergedOcc 0
11 mol 180 unq 0 iso 1 dist 9.26812 13.8772 8.47156 7.69346 8.86377 10.1976 numMergedOcc 0
12 mol 199 unq 0 iso 0 dist 9.61894 5.74514 7.29716 5.8827 8.80983 9.38427 numMergedOcc 0
13 mol 199 unq 0 iso 1 dist 9.61894 5.8827 8.80983 5.74514 7.29716 9.38427 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 9.76309 4.20557 9.63472 7.9703 7.15386 10.7154 numMergedOcc 0
15 mol 211 unq 0 iso 1 dist 9.76309 7.9703 7.15386 4.20557 9.63472 10.7154 numMergedOcc 0
16 mol 211 unq 1 iso 0 dist 6.42375 4.20557 5.42004 7.9703 7.73993 10.7154 numMergedOcc 0
17 mol 211 unq 1 iso 1 dist 6.42375 7.9703 7.73993 4.20557 5.42004 10.7154 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 8.95575 4.35944 5.00735 5.31386 6.73755 5.38279 numMergedOcc 0
19 mol 230 unq 0 iso 1 dist 8.95575 5.31386 6.73755 4.35944 5.00735 5.38279 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.16838 5.45575 7.4294 10.6997 8.37253 11.2645 numMergedOcc 0
21 mol 259 unq 0 iso 1 dist 5.16838 10.6997 8.37253 5.45575 7.4294 11.2645 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 6.23198 8.67927 8.66784 8.55761 8.3298 5.54154 numMergedOcc 0
23 mol 260 unq 0 iso 1 dist 6.23198 8.55761 8.3298 8.67927 8.66784 5.54154 numMergedOcc 0
24 mol 260 unq 1 iso 0 dist 8.82216 5.31221 8.66784 5.33348 8.3298 5.54154 numMergedOcc 0
25 mol 260 unq 1 iso 1 dist 8.82216 5.33348 8.3298 5.31221 8.66784 5.54154 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 6.8693 7.3279 9.30966 8.62596 5.38704 6.03753 numMergedOcc 0
27 mol 274 unq 0 iso 1 dist 6.8693 8.62596 5.38704 7.3279 9.30966 6.03753 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 6.8693 7.3279 9.30966 13.2785 8.05503 11.568 numMergedOcc 0
29 mol 274 unq 1 iso 1 dist 6.8693 13.2785 8.05503 7.3279 9.30966 11.568 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 6.8693 8.62596 5.38704 13.2785 8.05503 6.07831 numMergedOcc 0
31 mol 274 unq 1 iso 1 dist 6.8693 13.2785 8.05503 8.62596 5.38704 6.07831 numMergedOcc 0
32 mol 274 unq 2 iso 0 dist 7.03782 11.0932 8.26695 5.66978 5.59151 6.07831 numMergedOcc 0
33 mol 274 unq 2 iso 1 dist 7.03782 5.66978 5.59151 11.0932 8.26695 6.07831 numMergedOcc 0
34 mol 274 unq 3 iso 0 dist 7.03782 11.0932 8.26695 10.88 8.17922 16.4367 numMergedOcc 0
35 mol 274 unq 3 iso 1 dist 7.03782 10.88 8.17922 11.0932 8.26695 16.4367 numMergedOcc 0
36 mol 274 unq 3 iso 0 dist 7.03782 5.66978 5.59151 10.88 8.17922 12.757 numMergedOcc 0
37 mol 274 unq 3 iso 1 dist 7.03782 10.88 8.17922 5.66978 5.59151 12.757 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 7.91992 8.78001 8.83777 4.54209 9.42812 11.4925 numMergedOcc 0
39 mol 277 unq 0 iso 1 dist 7.91992 4.54209 9.42812 8.78001 8.83777 11.4925 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 7.67032 15.5265 7.88102 14.5929 7.93694 4.88223 numMergedOcc 0
41 mol 279 unq 0 iso 1 dist 7.67032 14.5929 7.93694 15.5265 7.88102 4.88223 numMergedOcc 0
42 mol 279 unq 1 iso 0 dist 9.24895 7.88157 8.76889 8.60764 6.37469 11.9542 numMergedOcc 0
43 mol 279 unq 1 iso 1 dist 9.24895 8.60764 6.37469 7.88157 8.76889 11.9542 numMergedOcc 0
44 mol 279 unq 2 iso 0 dist 8.34154 12.3885 8.76889 6.66489 6.37469 11.9542 numMergedOcc 0
45 mol 279 unq 2 iso 1 dist 8.34154 6.66489 6.37469 12.3885 8.76889 11.9542 numMergedOcc 0
46 mol 280 unq 0 iso 0 dist 4.26671 10.0698 9.047 11.2544 9.9227 11.5166 numMergedOcc 0
47 mol 280 unq 0 iso 1 dist 4.26671 11.2544 9.9227 10.0698 9.047 11.5166 numMergedOcc 0
48 mol 285 unq 0 iso 0 dist 7.98588 4.43168 8.78148 11.4216 8.33415 14.0317 numMergedOcc 0
49 mol 285 unq 0 iso 1 dist 7.98588 11.4216 8.33415 4.43168 8.78148 14.0317 numMergedOcc 0
