0 mol 54 unq 0 iso 0 dist 6.6367 10.8133 5.85153 7.72003 9.41463 10.0644 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.63946 5.8977 5.85153 11.2137 9.41463 10.0644 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.32519 6.70627 9.71949 7.751 9.19512 6.35287 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 5.38363 7.39623 7.40437 5.29207 9.08745 7.8851 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 8.86253 10.7892 7.34145 4.40298 7.99194 9.34622 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 8.86253 10.7892 7.34145 5.42458 7.80313 5.89735 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 7.09988 6.04612 7.82303 7.15039 5.31375 6.05753 numMergedOcc 0
7 mol 107 unq 1 iso 0 dist 7.09988 6.04612 7.82303 12.4206 6.49371 12.7816 numMergedOcc 0
8 mol 107 unq 2 iso 0 dist 7.73898 8.46075 7.82303 4.80846 5.31375 6.05753 numMergedOcc 0
9 mol 107 unq 3 iso 0 dist 7.73898 8.46075 7.82303 9.55354 6.49371 12.7816 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 8.83567 11.1422 9.34689 10.864 5.92828 8.90959 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 8.83567 11.1422 9.34689 9.95307 9.1247 4.4941 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 6.79584 13.5573 9.34689 9.50897 5.92828 8.90959 numMergedOcc 0
13 mol 112 unq 3 iso 0 dist 6.79584 13.5573 9.34689 11.9673 9.1247 4.4941 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 7.37255 14.2989 8.06621 6.72578 6.77583 12.4672 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.86574 7.72772 8.46395 6.21482 9.34653 12.8784 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 8.86574 10.0766 6.08596 6.21482 9.34653 8.88593 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 9.32969 10.2936 5.13892 13.385 4.45769 5.28603 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 9.32969 10.2936 5.13892 17.9971 8.99961 10.7058 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 9.32969 5.29486 8.2232 13.385 4.45769 11.0713 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 9.32969 5.29486 8.2232 17.9971 8.99961 16.9177 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 7.4717 12.0469 8.19578 3.70516 9.07313 11.1698 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 5.33881 7.23798 9.25019 9.31424 9.73217 9.36822 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 5.33881 7.23798 9.25019 10.8164 7.49606 14.1637 numMergedOcc 0
24 mol 260 unq 2 iso 0 dist 5.33881 7.23798 9.25019 8.53278 8.06377 12.9441 numMergedOcc 0
25 mol 260 unq 3 iso 0 dist 5.33881 7.10009 4.64695 9.31424 9.73217 13.067 numMergedOcc 0
26 mol 260 unq 4 iso 0 dist 5.33881 7.10009 4.64695 10.8164 7.49606 5.38958 numMergedOcc 0
27 mol 260 unq 5 iso 0 dist 5.33881 7.10009 4.64695 8.53278 8.06377 6.07718 numMergedOcc 0
