0 mol 26 unq 0 iso 0 dist 5.20647 4.9737 4.04528 7.65918 4.10415 5.54542 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 5.83051 4.9737 4.75209 7.65918 3.21805 5.54542 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.73902 9.91882 6.29545 9.26518 3.76713 8.28169 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.073 8.44761 7.47006 7.51631 10.0937 3.56619 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 9.073 6.81124 4.02051 7.51631 10.0937 6.23171 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.75708 8.64736 12.7681 5.98764 12.4544 14.0777 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.32868 6.15011 11.8069 4.96173 11.6652 3.79182 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.35364 8.4204 10.2414 8.6356 12.1081 15.3665 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.00111 8.51206 9.80356 8.85675 6.93445 4.8632 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 5.32517 9.95168 7.03613 7.12662 8.30851 10.5341 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 5.32517 9.95168 7.03613 9.38 12.0704 15.3866 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 7.6275 9.95168 9.16989 7.12662 8.39591 10.5341 numMergedOcc 0
12 mol 128 unq 3 iso 0 dist 7.6275 9.95168 9.16989 9.38 11.7516 15.3866 numMergedOcc 0
13 mol 128 unq 4 iso 0 dist 7.4738 9.95168 10.9024 7.12662 3.81254 10.5341 numMergedOcc 0
14 mol 128 unq 5 iso 0 dist 7.4738 9.95168 10.9024 9.38 6.13996 15.3866 numMergedOcc 0
15 mol 128 unq 6 iso 0 dist 8.88867 9.95168 16.8599 7.12662 7.67031 10.5341 numMergedOcc 0
16 mol 128 unq 7 iso 0 dist 8.88867 9.95168 16.8599 9.38 4.62046 15.3866 numMergedOcc 0
17 mol 128 unq 8 iso 0 dist 7.04282 9.95168 13.3841 7.12662 4.79627 10.5341 numMergedOcc 0
18 mol 128 unq 9 iso 0 dist 7.04282 9.95168 13.3841 9.38 4.769 15.3866 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 6.72426 6.01599 4.33572 8.08259 10.6947 12.8363 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 6.72426 5.42285 6.11369 8.08259 10.6947 5.64188 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 9.19569 8.59976 11.3012 7.07933 5.74428 5.68902 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 9.19569 9.71763 9.12553 7.07933 5.74428 3.83687 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 9.51189 6.19189 11.2568 9.6283 14.4211 5.70845 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 6.22466 8.34668 5.18732 8.86574 12.7948 15.131 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 6.22466 8.76308 12.1022 8.86574 12.7948 5.39534 numMergedOcc 0
26 mol 195 unq 0 iso 0 dist 8.51112 5.0778 4.58275 9.33055 8.15115 9.70528 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 5.91079 6.79634 8.35349 4.72209 3.83801 4.76454 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 6.67272 9.37981 5.94294 7.00922 3.56022 9.48693 numMergedOcc 0
29 mol 226 unq 1 iso 0 dist 9.45332 9.37981 11.9903 7.00922 4.56116 9.48693 numMergedOcc 0
30 mol 226 unq 2 iso 0 dist 9.31677 9.84017 13.393 7.4717 13.2885 3.3739 numMergedOcc 0
31 mol 235 unq 0 iso 0 dist 6.91126 4.46919 3.93066 8.28824 3.76405 6.82702 numMergedOcc 0
32 mol 235 unq 1 iso 0 dist 9.48967 4.46919 13.0408 8.28824 12.0808 6.82702 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 6.58667 7.64361 13.7282 7.05489 6.48624 10.646 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 6.01542 7.64361 4.60075 7.05489 6.22898 10.646 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 9.05047 9.01292 10.9081 8.49016 3.78898 9.67354 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 7.24072 9.01292 7.31058 8.49016 4.41063 9.67354 numMergedOcc 0
