D0NB7Y AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 -2.874 -6.568 0.792 1.00 0.00 N HETATM 2 C UNL 1 -3.636 -5.363 0.827 1.00 0.00 C HETATM 3 N UNL 1 -4.606 -5.133 1.662 1.00 0.00 N HETATM 4 C UNL 1 -4.973 -6.153 2.507 1.00 0.00 C HETATM 5 N UNL 1 -4.263 -7.342 2.475 1.00 0.00 N HETATM 6 C UNL 1 -3.152 -7.576 1.592 1.00 0.00 C HETATM 7 C UNL 1 -5.995 -6.325 3.448 1.00 0.00 C HETATM 8 C UNL 1 -5.790 -7.669 3.892 1.00 0.00 C HETATM 9 N UNL 1 -4.738 -8.279 3.334 1.00 0.00 N HETATM 10 C UNL 1 -7.105 -5.375 3.925 1.00 0.00 C HETATM 11 N UNL 1 -3.289 -4.436 -0.149 1.00 0.00 N HETATM 12 N UNL 1 -2.489 -8.867 1.671 1.00 0.00 N HETATM 13 C UNL 1 -8.421 -5.535 3.148 1.00 0.00 C HETATM 14 C UNL 1 -7.465 -5.517 5.421 1.00 0.00 C HETATM 15 C UNL 1 -1.283 -9.364 0.943 1.00 0.00 C HETATM 16 C UNL 1 -0.701 -10.829 1.183 1.00 0.00 C HETATM 17 C UNL 1 -1.436 -11.965 1.550 1.00 0.00 C HETATM 18 C UNL 1 -0.845 -13.281 1.656 1.00 0.00 C HETATM 19 C UNL 1 0.514 -13.563 1.395 1.00 0.00 C HETATM 20 C UNL 1 1.254 -12.453 0.967 1.00 0.00 C HETATM 21 C UNL 1 0.657 -11.134 0.858 1.00 0.00 C HETATM 22 C UNL 1 1.103 -14.948 1.495 1.00 0.00 C HETATM 23 CA UNL 1 -3.372 -2.958 -0.244 1.00 0.00 C HETATM 24 C UNL 1 -4.129 -2.451 -1.504 1.00 0.00 C HETATM 25 C UNL 1 -3.904 -2.181 0.984 1.00 0.00 C HETATM 26 O UNL 1 -5.305 -2.289 1.151 1.00 0.00 O HETATM 27 C UNL 1 -3.624 -2.943 -2.853 1.00 0.00 C HETATM 28 C UNL 1 0.352 -16.064 1.852 1.00 0.00 C HETATM 29 S UNL 1 1.207 -17.552 1.806 1.00 0.00 S HETATM 30 C UNL 1 2.607 -16.775 1.226 1.00 0.00 C HETATM 31 C UNL 1 2.466 -15.397 1.253 1.00 0.00 C HETATM 32 H UNL 1 -6.384 -8.216 4.614 1.00 0.00 H HETATM 33 H UNL 1 -6.756 -4.343 3.779 1.00 0.00 H HETATM 34 H UNL 1 -2.539 -4.806 -0.726 1.00 0.00 H HETATM 35 H UNL 1 -2.826 -9.461 2.424 1.00 0.00 H HETATM 36 H UNL 1 -8.869 -6.521 3.318 1.00 0.00 H HETATM 37 H UNL 1 -8.281 -5.399 2.074 1.00 0.00 H HETATM 38 H UNL 1 -9.159 -4.790 3.482 1.00 0.00 H HETATM 39 H UNL 1 -7.873 -6.510 5.650 1.00 0.00 H HETATM 40 H UNL 1 -8.242 -4.792 5.708 1.00 0.00 H HETATM 41 H UNL 1 -6.604 -5.345 6.072 1.00 0.00 H HETATM 42 H UNL 1 -0.460 -8.678 1.176 1.00 0.00 H HETATM 43 H UNL 1 -1.485 -9.300 -0.132 1.00 0.00 H HETATM 44 H UNL 1 -2.503 -11.887 1.741 1.00 0.00 H HETATM 45 H UNL 1 -1.511 -14.098 1.928 1.00 0.00 H HETATM 46 H UNL 1 2.293 -12.574 0.677 1.00 0.00 H HETATM 47 H UNL 1 1.308 -10.346 0.476 1.00 0.00 H HETATM 48 HA UNL 1 -2.331 -2.624 -0.362 1.00 0.00 H HETATM 49 H UNL 1 -5.201 -2.670 -1.433 1.00 0.00 H HETATM 50 H UNL 1 -4.047 -1.353 -1.531 1.00 0.00 H HETATM 51 H1 UNL 1 -3.398 -2.483 1.914 1.00 0.00 H HETATM 52 H2 UNL 1 -3.696 -1.125 0.843 1.00 0.00 H HETATM 53 H UNL 1 -5.482 -3.251 1.319 1.00 0.00 H HETATM 54 H UNL 1 -3.812 -4.011 -2.984 1.00 0.00 H HETATM 55 H UNL 1 -2.556 -2.745 -2.984 1.00 0.00 H HETATM 56 H UNL 1 -4.153 -2.415 -3.659 1.00 0.00 H HETATM 57 H UNL 1 -0.686 -16.129 2.134 1.00 0.00 H HETATM 58 H UNL 1 3.469 -17.366 0.935 1.00 0.00 H HETATM 59 H UNL 1 3.309 -14.755 1.031 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 11 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 12 CONECT 7 4 8 10 CONECT 8 7 9 32 CONECT 9 8 5 CONECT 10 7 13 14 33 CONECT 11 2 23 34 CONECT 12 6 15 35 CONECT 13 10 36 37 38 CONECT 14 10 39 40 41 CONECT 15 12 16 42 43 CONECT 16 15 17 21 CONECT 17 16 18 44 CONECT 18 17 19 45 CONECT 19 18 20 22 CONECT 20 19 21 46 CONECT 21 20 16 47 CONECT 22 19 28 31 CONECT 23 24 25 11 48 CONECT 24 27 23 49 50 CONECT 25 26 23 51 52 CONECT 26 25 53 CONECT 27 24 54 55 56 CONECT 28 22 29 57 CONECT 29 28 30 CONECT 30 29 31 58 CONECT 31 30 22 59 CONECT 32 8 CONECT 33 10 CONECT 34 11 CONECT 35 12 CONECT 36 13 CONECT 37 13 CONECT 38 13 CONECT 39 14 CONECT 40 14 CONECT 41 14 CONECT 42 15 CONECT 43 15 CONECT 44 17 CONECT 45 18 CONECT 46 20 CONECT 47 21 CONECT 48 23 CONECT 49 24 CONECT 50 24 CONECT 51 25 CONECT 52 25 CONECT 53 26 CONECT 54 27 CONECT 55 27 CONECT 56 27 CONECT 57 28 CONECT 58 30 CONECT 59 31 MASTER 0 0 0 0 0 0 0 0 59 0 59 0 END M END $$$$