D0JA4K AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.488 0.126 -0.162 1.00 0.00 C HETATM 2 C UNL 1 0.429 1.281 -0.934 1.00 0.00 C HETATM 3 C UNL 1 1.611 1.803 -1.492 1.00 0.00 C HETATM 4 C UNL 1 2.846 1.307 -1.134 1.00 0.00 C HETATM 5 C UNL 1 2.892 0.190 -0.317 1.00 0.00 C HETATM 6 C UNL 1 1.722 -0.482 0.051 1.00 0.00 C HETATM 7 C UNL 1 4.058 1.877 -1.718 1.00 0.00 C HETATM 8 N UNL 1 5.237 1.455 -1.268 1.00 0.00 N HETATM 9 N UNL 1 5.253 0.454 -0.340 1.00 0.00 N HETATM 10 C UNL 1 4.222 -0.241 0.146 1.00 0.00 C HETATM 11 O UNL 1 1.483 2.713 -2.496 1.00 0.00 O HETATM 12 C UNL 1 2.606 3.107 -3.190 1.00 0.00 C HETATM 13 C UNL 1 3.929 2.910 -2.825 1.00 0.00 C HETATM 14 C UNL 1 2.356 3.789 -4.367 1.00 0.00 C HETATM 15 C UNL 1 3.338 4.556 -5.005 1.00 0.00 C HETATM 16 C UNL 1 4.701 4.412 -4.748 1.00 0.00 C HETATM 17 C UNL 1 4.980 3.542 -3.618 1.00 0.00 C HETATM 18 C UNL 1 5.793 5.193 -5.662 1.00 0.00 C HETATM 19 N UNL 1 5.539 5.471 -7.185 1.00 0.00 N HETATM 20 C UNL 1 6.467 6.252 -8.012 1.00 0.00 C HETATM 21 C UNL 1 5.885 6.649 -9.435 1.00 0.00 C HETATM 22 C UNL 1 4.522 7.361 -9.436 1.00 0.00 C HETATM 23 C UNL 1 3.532 6.539 -8.678 1.00 0.00 C HETATM 24 C UNL 1 4.215 5.974 -7.445 1.00 0.00 C HETATM 25 O UNL 1 4.021 7.558 -10.761 1.00 0.00 O HETATM 26 O UNL 1 4.335 -1.190 0.879 1.00 0.00 O HETATM 27 H UNL 1 -0.419 -0.332 0.227 1.00 0.00 H HETATM 28 H UNL 1 -0.543 1.713 -1.183 1.00 0.00 H HETATM 29 H UNL 1 1.772 -1.493 0.447 1.00 0.00 H HETATM 30 H UNL 1 6.184 0.144 -0.095 1.00 0.00 H HETATM 31 H UNL 1 1.391 3.670 -4.840 1.00 0.00 H HETATM 32 H UNL 1 2.947 5.249 -5.732 1.00 0.00 H HETATM 33 H UNL 1 6.008 3.305 -3.351 1.00 0.00 H HETATM 34 H UNL 1 6.690 4.568 -5.622 1.00 0.00 H HETATM 35 H UNL 1 6.016 6.134 -5.135 1.00 0.00 H HETATM 36 H UNL 1 7.347 5.628 -8.197 1.00 0.00 H HETATM 37 H UNL 1 6.797 7.170 -7.514 1.00 0.00 H HETATM 38 H UNL 1 5.802 5.753 -10.065 1.00 0.00 H HETATM 39 H UNL 1 6.591 7.306 -9.952 1.00 0.00 H HETATM 40 H UNL 1 4.609 8.353 -8.980 1.00 0.00 H HETATM 41 H UNL 1 3.100 5.733 -9.288 1.00 0.00 H HETATM 42 H UNL 1 2.647 7.140 -8.395 1.00 0.00 H HETATM 43 H UNL 1 4.174 6.805 -6.738 1.00 0.00 H HETATM 44 H UNL 1 3.807 4.969 -7.492 1.00 0.00 H HETATM 45 H UNL 1 3.621 6.724 -11.071 1.00 0.00 H CONECT 1 2 6 27 CONECT 2 1 3 28 CONECT 3 2 4 11 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 29 CONECT 7 4 8 13 CONECT 8 7 9 CONECT 9 8 10 30 CONECT 10 9 5 26 CONECT 11 3 12 CONECT 12 11 13 14 CONECT 13 12 7 17 CONECT 14 12 15 31 CONECT 15 14 16 32 CONECT 16 15 17 18 CONECT 17 16 13 33 CONECT 18 16 19 34 35 CONECT 19 18 20 24 CONECT 20 19 21 36 37 CONECT 21 20 22 38 39 CONECT 22 21 23 25 40 CONECT 23 22 24 41 42 CONECT 24 23 19 43 44 CONECT 25 22 45 CONECT 26 10 CONECT 27 1 CONECT 28 2 CONECT 29 6 CONECT 30 9 CONECT 31 14 CONECT 32 15 CONECT 33 17 CONECT 34 18 CONECT 35 18 CONECT 36 20 CONECT 37 20 CONECT 38 21 CONECT 39 21 CONECT 40 22 CONECT 41 23 CONECT 42 23 CONECT 43 24 CONECT 44 24 CONECT 45 25 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END M END $$$$