COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 C UNL 1 4.874 0.908 0.239 1.00 0.00 C HETATM 2 C UNL 1 6.176 0.452 0.299 1.00 0.00 C HETATM 3 C UNL 1 6.448 -0.895 0.155 1.00 0.00 C HETATM 4 C UNL 1 5.415 -1.798 -0.052 1.00 0.00 C HETATM 5 C UNL 1 4.105 -1.350 -0.113 1.00 0.00 C HETATM 6 C UNL 1 3.830 0.007 0.033 1.00 0.00 C HETATM 7 C UNL 1 2.430 0.493 -0.026 1.00 0.00 C HETATM 8 C UNL 1 1.387 -0.409 -0.227 1.00 0.00 C HETATM 9 C UNL 1 0.084 0.042 -0.281 1.00 0.00 C HETATM 10 C UNL 1 -0.191 1.395 -0.136 1.00 0.00 C HETATM 11 C UNL 1 0.850 2.302 0.065 1.00 0.00 C HETATM 12 C UNL 1 2.155 1.852 0.126 1.00 0.00 C HETATM 13 O UNL 1 5.687 -3.122 -0.194 1.00 0.00 O HETATM 14 C UNL 1 7.060 -3.513 -0.120 1.00 0.00 C HETATM 15 O UNL 1 0.580 3.627 0.207 1.00 0.00 O HETATM 16 C UNL 1 1.694 4.498 0.409 1.00 0.00 C HETATM 17 N UNL 1 -1.512 1.850 -0.191 1.00 0.00 N HETATM 18 C UNL 1 -2.565 0.933 -0.233 1.00 0.00 C HETATM 19 C UNL 1 -2.542 -0.191 0.583 1.00 0.00 C HETATM 20 C UNL 1 -3.584 -1.096 0.540 1.00 0.00 C HETATM 21 C UNL 1 -4.651 -0.883 -0.314 1.00 0.00 C HETATM 22 C UNL 1 -4.677 0.234 -1.128 1.00 0.00 C HETATM 23 C UNL 1 -3.641 1.146 -1.086 1.00 0.00 C HETATM 24 C UNL 1 -5.787 -1.873 -0.359 1.00 0.00 C HETATM 25 N UNL 1 -6.811 -1.486 0.621 1.00 0.00 N1+ HETATM 26 C UNL 1 -7.402 -0.199 0.230 1.00 0.00 C HETATM 27 C UNL 1 -7.861 -2.513 0.663 1.00 0.00 C HETATM 28 H UNL 1 4.664 1.961 0.356 1.00 0.00 H HETATM 29 H UNL 1 6.984 1.151 0.460 1.00 0.00 H HETATM 30 H UNL 1 7.469 -1.246 0.203 1.00 0.00 H HETATM 31 H UNL 1 3.300 -2.052 -0.273 1.00 0.00 H HETATM 32 H UNL 1 1.598 -1.462 -0.340 1.00 0.00 H HETATM 33 H UNL 1 -0.723 -0.658 -0.436 1.00 0.00 H HETATM 34 H UNL 1 2.962 2.552 0.286 1.00 0.00 H HETATM 35 H UNL 1 7.623 -3.012 -0.907 1.00 0.00 H HETATM 36 H UNL 1 7.465 -3.233 0.852 1.00 0.00 H HETATM 37 H UNL 1 7.137 -4.593 -0.249 1.00 0.00 H HETATM 38 H UNL 1 2.222 4.208 1.318 1.00 0.00 H HETATM 39 H UNL 1 2.371 4.427 -0.442 1.00 0.00 H HETATM 40 H UNL 1 1.340 5.525 0.507 1.00 0.00 H HETATM 41 H UNL 1 -1.698 2.802 -0.201 1.00 0.00 H HETATM 42 H UNL 1 -1.709 -0.358 1.250 1.00 0.00 H HETATM 43 H UNL 1 -3.567 -1.970 1.174 1.00 0.00 H HETATM 44 H UNL 1 -5.512 0.397 -1.794 1.00 0.00 H HETATM 45 H UNL 1 -3.664 2.020 -1.719 1.00 0.00 H HETATM 46 H UNL 1 -6.224 -1.880 -1.357 1.00 0.00 H HETATM 47 H UNL 1 -5.412 -2.868 -0.119 1.00 0.00 H HETATM 48 H UNL 1 -6.389 -1.400 1.533 1.00 0.00 H HETATM 49 H UNL 1 -7.858 -0.293 -0.755 1.00 0.00 H HETATM 50 H UNL 1 -8.161 0.088 0.957 1.00 0.00 H HETATM 51 H UNL 1 -6.623 0.563 0.199 1.00 0.00 H HETATM 52 H UNL 1 -7.423 -3.468 0.953 1.00 0.00 H HETATM 53 H UNL 1 -8.621 -2.227 1.390 1.00 0.00 H HETATM 54 H UNL 1 -8.317 -2.607 -0.322 1.00 0.00 H CONECT 1 2 6 6 28 CONECT 2 3 3 1 29 CONECT 3 2 2 4 30 CONECT 4 3 13 5 5 CONECT 5 4 4 6 31 CONECT 6 1 1 5 7 CONECT 7 6 8 8 12 CONECT 8 7 7 9 32 CONECT 9 8 10 10 33 CONECT 10 9 9 11 17 CONECT 11 12 12 10 15 CONECT 12 7 11 11 34 CONECT 13 4 14 CONECT 14 13 35 36 37 CONECT 15 11 16 CONECT 16 15 38 39 40 CONECT 17 10 18 41 CONECT 18 19 17 23 23 CONECT 19 20 20 18 42 CONECT 20 19 19 21 43 CONECT 21 20 24 22 22 CONECT 22 21 21 23 44 CONECT 23 18 18 22 45 CONECT 24 21 25 46 47 CONECT 25 24 27 26 48 CONECT 26 25 49 50 51 CONECT 27 25 52 53 54 CONECT 28 1 CONECT 29 2 CONECT 30 3 CONECT 31 5 CONECT 32 8 CONECT 33 9 CONECT 34 12 CONECT 35 14 CONECT 36 14 CONECT 37 14 CONECT 38 16 CONECT 39 16 CONECT 40 16 CONECT 41 17 CONECT 42 19 CONECT 43 20 CONECT 44 22 CONECT 45 23 CONECT 46 24 CONECT 47 24 CONECT 48 25 CONECT 49 26 CONECT 50 26 CONECT 51 26 CONECT 52 27 CONECT 53 27 CONECT 54 27 MASTER 0 0 0 0 0 0 0 0 54 0 54 0 END