COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 C UNL 1 -0.672 -2.288 0.470 1.00 0.00 C HETATM 2 N UNL 1 0.513 -0.287 -0.224 1.00 0.00 N HETATM 3 O UNL 1 0.012 -2.856 -0.346 1.00 0.00 O HETATM 4 CA UNL 1 -0.520 -0.803 0.677 1.00 0.00 C HETATM 5 C UNL 1 -1.850 -0.107 0.379 1.00 0.00 C HETATM 6 C UNL 1 -5.142 -1.472 -1.342 1.00 0.00 C HETATM 7 C UNL 1 -4.755 1.013 -1.374 1.00 0.00 C HETATM 8 O UNL 1 -3.878 1.828 1.626 1.00 0.00 O HETATM 9 O UNL 1 1.685 2.210 -0.536 1.00 0.00 O HETATM 10 O UNL 1 2.122 -0.814 1.210 1.00 0.00 O HETATM 11 OXT UNL 1 -5.989 1.391 1.138 1.00 0.00 O HETATM 12 O UNL 1 3.455 2.341 -1.854 1.00 0.00 O HETATM 13 C UNL 1 6.714 -0.306 1.013 1.00 0.00 C HETATM 14 C UNL 1 6.435 -0.914 -0.196 1.00 0.00 C HETATM 15 C UNL 1 5.750 0.461 1.641 1.00 0.00 C HETATM 16 C UNL 1 5.192 -0.753 -0.779 1.00 0.00 C HETATM 17 C UNL 1 4.508 0.622 1.057 1.00 0.00 C HETATM 18 N UNL 1 -2.930 -0.605 1.277 1.00 0.00 N HETATM 19 S UNL 1 -2.507 -0.609 -1.266 1.00 0.00 S HETATM 20 C UNL 1 -4.693 1.047 1.194 1.00 0.00 C HETATM 21 C UNL 1 2.627 1.655 -1.050 1.00 0.00 C HETATM 22 C UNL 1 1.810 -0.340 0.138 1.00 0.00 C HETATM 23 C UNL 1 4.228 0.015 -0.153 1.00 0.00 C HETATM 24 CA UNL 1 -4.253 -0.313 0.717 1.00 0.00 C HETATM 25 C UNL 1 2.873 0.191 -0.789 1.00 0.00 C HETATM 26 C UNL 1 -4.268 -0.329 -0.823 1.00 0.00 C HETATM 27 H UNL 1 -1.396 -2.842 1.048 1.00 0.00 H HETATM 28 H UNL 1 0.264 0.092 -1.081 1.00 0.00 H HETATM 29 HA UNL 1 -0.232 -0.608 1.710 1.00 0.00 H HETATM 30 H UNL 1 -1.749 0.976 0.449 1.00 0.00 H HETATM 31 H UNL 1 -5.106 -1.492 -2.431 1.00 0.00 H HETATM 32 H UNL 1 -4.772 -2.420 -0.949 1.00 0.00 H HETATM 33 H UNL 1 -6.170 -1.321 -1.015 1.00 0.00 H HETATM 34 H UNL 1 -5.780 1.188 -1.048 1.00 0.00 H HETATM 35 H UNL 1 -4.114 1.812 -1.004 1.00 0.00 H HETATM 36 H UNL 1 -4.720 0.993 -2.464 1.00 0.00 H HETATM 37 HXT UNL 1 -6.223 2.274 1.455 1.00 0.00 H HETATM 38 H UNL 1 3.256 3.278 -1.991 1.00 0.00 H HETATM 39 H UNL 1 7.684 -0.435 1.471 1.00 0.00 H HETATM 40 H UNL 1 7.188 -1.513 -0.686 1.00 0.00 H HETATM 41 H UNL 1 5.969 0.936 2.586 1.00 0.00 H HETATM 42 H UNL 1 4.973 -1.227 -1.725 1.00 0.00 H HETATM 43 H UNL 1 3.755 1.222 1.547 1.00 0.00 H HETATM 44 H UNL 1 -2.823 -1.592 1.457 1.00 0.00 H HETATM 45 HA UNL 1 -4.961 -1.058 1.081 1.00 0.00 H HETATM 46 H UNL 1 2.840 -0.357 -1.731 1.00 0.00 H CONECT 1 3 3 4 27 CONECT 2 4 22 28 CONECT 3 1 1 CONECT 4 1 2 5 29 CONECT 5 4 18 19 30 CONECT 6 26 31 32 33 CONECT 7 26 34 35 36 CONECT 8 20 20 CONECT 9 21 21 CONECT 10 22 22 CONECT 11 20 37 CONECT 12 21 38 CONECT 13 14 14 15 39 CONECT 14 13 13 16 40 CONECT 15 13 17 17 41 CONECT 16 14 23 23 42 CONECT 17 15 15 23 43 CONECT 18 5 24 44 CONECT 19 5 26 CONECT 20 8 8 11 24 CONECT 21 9 9 12 25 CONECT 22 2 10 10 25 CONECT 23 16 16 17 25 CONECT 24 18 20 26 45 CONECT 25 21 22 23 46 CONECT 26 6 7 19 24 CONECT 27 1 CONECT 28 2 CONECT 29 4 CONECT 30 5 CONECT 31 6 CONECT 32 6 CONECT 33 6 CONECT 34 7 CONECT 35 7 CONECT 36 7 CONECT 37 11 CONECT 38 12 CONECT 39 13 CONECT 40 14 CONECT 41 15 CONECT 42 16 CONECT 43 17 CONECT 44 18 CONECT 45 24 CONECT 46 25 MASTER 0 0 0 0 0 0 0 0 46 0 46 0 END