0 mol 7 unq 0 iso 0 dist 9.20552 6.49868 7.88043 10.4548 5.99459 8.0744 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.20552 8.07954 8.80762 10.4548 5.99459 11.7002 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 7.37356 6.07208 7.55766 6.82841 5.65084 4.8604 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.94828 10.812 6.90155 4.54526 4.79873 6.86525 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.94828 10.812 6.90155 16.0229 9.48085 13.7717 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 6.84521 10.0977 8.44903 6.59001 6.66407 4.69849 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 5.84326 8.45716 8.63486 11.3819 9.2898 15.8558 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.26438 12.3653 5.34214 7.53887 7.07971 6.8409 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 6.43255 5.55157 5.34214 7.83378 7.07971 6.8409 numMergedOcc 0
9 mol 109 unq 2 iso 0 dist 7.4389 3.56506 5.34214 10.405 7.07971 6.8409 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.85583 11.1422 6.47042 10.864 8.47988 8.90959 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 7.85583 11.1422 6.47042 9.95307 8.0427 4.4941 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 8.86938 13.5573 6.47042 9.50897 8.47988 8.90959 numMergedOcc 0
13 mol 112 unq 3 iso 0 dist 8.86938 13.5573 6.47042 11.9673 8.0427 4.4941 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 8.86346 7.78477 9.17106 13.5413 7.81207 9.38687 numMergedOcc 0
15 mol 142 unq 1 iso 0 dist 8.86346 7.78477 9.17106 10.4327 7.18002 11.093 numMergedOcc 0
16 mol 142 unq 2 iso 0 dist 4.93681 6.74129 9.17106 9.85239 7.81207 9.38687 numMergedOcc 0
17 mol 142 unq 3 iso 0 dist 4.93681 6.74129 9.17106 8.64092 7.18002 11.093 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 7.34207 6.03671 7.72144 13.1744 8.33439 14.4682 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 8.04723 5.24118 4.92088 12.8554 9.11204 7.79894 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.77347 6.2749 7.20574 8.69152 6.61112 8.58039 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 9.52413 12.1191 9.83476 6.21482 7.2793 6.38897 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 9.52413 12.1191 9.83476 6.47581 9.51091 8.93258 numMergedOcc 0
23 mol 186 unq 3 iso 0 dist 9.52413 12.1191 9.83476 16.7739 7.85184 11.924 numMergedOcc 0
24 mol 186 unq 4 iso 0 dist 9.52413 10.0766 6.258 6.21482 7.2793 8.88593 numMergedOcc 0
25 mol 186 unq 5 iso 0 dist 9.52413 10.0766 6.258 6.47581 9.51091 8.7188 numMergedOcc 0
26 mol 186 unq 6 iso 0 dist 9.52413 10.0766 6.258 16.7739 7.85184 9.8366 numMergedOcc 0
27 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 4.31898 7.41662 9.48862 numMergedOcc 0
28 mol 195 unq 1 iso 0 dist 4.78641 9.33058 6.60567 8.15463 7.41662 9.48862 numMergedOcc 0
29 mol 218 unq 0 iso 0 dist 9.79816 10.5293 8.06216 15.4347 7.33709 7.4492 numMergedOcc 0
30 mol 218 unq 1 iso 0 dist 9.79816 10.888 5.76954 15.4347 7.33709 6.57708 numMergedOcc 0
31 mol 218 unq 2 iso 0 dist 9.79816 8.17702 6.29511 15.4347 7.33709 13.4147 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 9.93754 9.46577 6.6561 5.30128 6.50998 6.35462 numMergedOcc 0
33 mol 225 unq 1 iso 0 dist 9.93754 9.46577 6.6561 7.291 9.09424 5.94765 numMergedOcc 0
34 mol 225 unq 2 iso 0 dist 9.93754 9.46577 6.6561 15.2642 8.14831 11.2847 numMergedOcc 0
35 mol 232 unq 0 iso 0 dist 7.57253 14.1473 7.83711 8.96601 6.71524 8.03712 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 8.97461 11.3332 5.64181 17.3901 9.08509 6.94907 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 6.94654 9.80929 7.61393 3.55929 9.06592 9.9447 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 8.89487 11.3332 7.61393 12.7433 9.06592 9.9447 numMergedOcc 0
39 mol 264 unq 0 iso 0 dist 8.85887 5.95173 6.42588 12.6528 9.58916 7.36132 numMergedOcc 0
40 mol 264 unq 1 iso 0 dist 6.65233 6.79049 6.14323 6.04707 8.29262 5.82131 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 7.151 6.63088 6.57903 10.3171 9.57499 14.6871 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 8.33977 14.3997 6.57903 5.04761 9.57499 14.6871 numMergedOcc 0
43 mol 285 unq 0 iso 0 dist 9.82717 10.0774 5.31728 13.1909 7.80862 8.05127 numMergedOcc 0
44 mol 285 unq 1 iso 0 dist 8.33653 10.471 5.31728 12.4844 7.80862 8.05127 numMergedOcc 0
45 mol 285 unq 2 iso 0 dist 6.44657 10.8587 5.31728 7.67857 7.80862 8.05127 numMergedOcc 0
