0 mol 5 unq 0 iso 0 dist 9.83318 7.77059 3.14155 11.7909 7.56229 5.69239 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 7.68854 6.80828 3.44035 4.52631 11.2439 9.2087 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.68961 5.43913 9.40261 5.39197 8.97853 8.65524 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.68961 5.43913 9.40261 9.53255 14.3731 8.96151 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.68961 5.43913 9.40261 7.75132 12.998 9.02535 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.68961 8.26877 13.3796 5.39197 8.97853 8.22812 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.68961 8.26877 13.3796 9.53255 14.3731 4.22002 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.68961 8.26877 13.3796 7.75132 12.998 5.77855 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 6.68961 8.26877 13.3796 14.2848 18.7364 8.10774 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 6.68961 8.26877 13.3796 12.4977 15.4146 6.5241 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.78899 8.10222 10.6357 9.57893 11.1397 8.14245 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 7.78899 8.10222 10.6357 12.6437 13.3426 6.36817 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 7.78899 8.10222 10.6357 12.0687 17.6214 8.0812 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 7.78899 8.10222 10.6357 7.88988 11.4329 4.17933 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 7.78899 8.10222 10.6357 8.00934 13.4279 5.54893 numMergedOcc 0
15 mol 68 unq 0 iso 0 dist 8.52421 5.26566 3.73169 5.08181 11.408 7.7485 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 6.97936 5.91098 3.35924 11.6853 5.45099 7.66068 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 6.97936 5.91098 3.35924 15.0489 8.44765 9.5043 numMergedOcc 0
18 mol 76 unq 2 iso 0 dist 6.97936 5.91098 3.35924 14.2393 9.06643 8.34132 numMergedOcc 0
19 mol 76 unq 3 iso 0 dist 5.00466 4.86523 3.35924 4.94673 5.45099 7.66068 numMergedOcc 0
20 mol 76 unq 4 iso 0 dist 5.00466 4.86523 3.35924 5.78236 8.44765 9.5043 numMergedOcc 0
21 mol 76 unq 5 iso 0 dist 5.00466 4.86523 3.35924 4.73151 9.06643 8.34132 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 8.52436 9.43839 14.4719 14.6513 16.9584 6.67137 numMergedOcc 0
23 mol 85 unq 1 iso 0 dist 8.52436 9.43839 14.4719 4.43737 12.7248 9.78707 numMergedOcc 0
24 mol 107 unq 0 iso 0 dist 9.68222 7.2168 5.88785 8.41816 7.91251 8.88124 numMergedOcc 0
25 mol 107 unq 1 iso 0 dist 9.68222 7.2168 5.88785 15.3177 9.09262 8.19484 numMergedOcc 0
26 mol 107 unq 2 iso 0 dist 8.28321 7.2168 8.55732 8.41816 14.761 8.88124 numMergedOcc 0
27 mol 107 unq 3 iso 0 dist 8.28321 7.2168 8.55732 15.3177 15.0603 8.19484 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 6.49577 6.97766 4.79079 5.86994 8.17928 4.87942 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 6.49577 4.79423 3.60793 5.86994 8.17928 7.25595 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 6.49577 4.79423 3.60793 8.74892 13.2028 9.94825 numMergedOcc 0
31 mol 193 unq 0 iso 0 dist 8.44337 9.13587 9.3899 16.5276 15.206 8.30069 numMergedOcc 0
32 mol 193 unq 1 iso 0 dist 8.44337 9.13587 9.3899 15.3446 16.2846 8.83551 numMergedOcc 0
33 mol 204 unq 0 iso 0 dist 5.81438 8.77524 5.80328 10.6524 8.23717 8.32259 numMergedOcc 0
34 mol 204 unq 1 iso 0 dist 5.81438 8.77524 5.80328 9.88337 7.98864 9.93489 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 8.94981 7.78392 16.3069 13.4414 19.9094 9.54529 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 5.90986 7.78392 12.113 13.4414 19.2154 9.54529 numMergedOcc 0
37 mol 225 unq 2 iso 0 dist 7.50697 7.78392 5.31124 13.4414 10.6109 9.54529 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 7.97711 6.83784 3.14784 5.34431 7.72861 7.8598 numMergedOcc 0
39 mol 266 unq 1 iso 0 dist 7.97711 6.83784 3.14784 8.39575 8.20376 8.25286 numMergedOcc 0
40 mol 266 unq 2 iso 0 dist 7.97711 6.38519 5.95721 5.34431 7.72861 7.80711 numMergedOcc 0
41 mol 266 unq 3 iso 0 dist 7.97711 6.38519 5.95721 8.39575 8.20376 9.9965 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.91103 4.1545 5.9732 5.11865 13.9096 7.98956 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 9.91103 4.25172 8.61922 5.11865 13.9096 5.86185 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 7.0603 4.1545 3.79766 5.11865 11.5963 7.98956 numMergedOcc 0
45 mol 277 unq 3 iso 0 dist 7.0603 4.25172 7.07613 5.11865 11.5963 5.86185 numMergedOcc 0
46 mol 285 unq 0 iso 0 dist 5.49829 4.95596 8.31211 4.57431 10.0463 5.88958 numMergedOcc 0
47 mol 285 unq 1 iso 0 dist 5.49829 6.3508 8.08247 4.57431 10.0463 7.78121 numMergedOcc 0
48 mol 285 unq 2 iso 0 dist 6.24134 4.95596 10.5542 4.57431 7.73438 5.88958 numMergedOcc 0
49 mol 285 unq 3 iso 0 dist 6.24134 6.3508 12.5361 4.57431 7.73438 7.78121 numMergedOcc 0
