D0P2AB AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 2.188 0.550 0.083 1.00 0.00 N HETATM 2 C UNL 1 1.701 0.807 -1.189 1.00 0.00 C HETATM 3 C UNL 1 2.794 1.105 -2.027 1.00 0.00 C HETATM 4 O UNL 1 3.944 0.917 -1.269 1.00 0.00 O HETATM 5 C UNL 1 3.503 0.553 -0.030 1.00 0.00 C HETATM 6 C UNL 1 4.404 -0.225 0.889 1.00 0.00 C HETATM 7 S UNL 1 2.842 1.605 -3.707 1.00 0.00 S HETATM 8 C UNL 1 4.540 1.506 -4.221 1.00 0.00 C HETATM 9 C UNL 1 5.580 2.109 -3.523 1.00 0.00 C HETATM 10 C UNL 1 6.873 2.081 -4.057 1.00 0.00 C HETATM 11 C UNL 1 7.091 1.487 -5.293 1.00 0.00 C HETATM 12 C UNL 1 6.000 0.952 -5.955 1.00 0.00 C HETATM 13 N UNL 1 4.741 0.946 -5.445 1.00 0.00 N HETATM 14 CL UNL 1 8.663 1.432 -5.978 1.00 0.00 Cl HETATM 15 C UNL 1 0.252 0.615 -1.489 1.00 0.00 C HETATM 16 C UNL 1 -0.649 0.176 -0.497 1.00 0.00 C HETATM 17 C UNL 1 -2.018 -0.168 -0.772 1.00 0.00 C HETATM 18 C UNL 1 -2.530 -0.091 -2.071 1.00 0.00 C HETATM 19 C UNL 1 -1.639 0.398 -3.047 1.00 0.00 C HETATM 20 C UNL 1 -0.295 0.740 -2.767 1.00 0.00 C HETATM 21 C UNL 1 -3.928 -0.528 -2.527 1.00 0.00 C HETATM 22 C UNL 1 -4.851 -1.168 -1.474 1.00 0.00 C HETATM 23 C UNL 1 -4.708 0.628 -3.184 1.00 0.00 C HETATM 24 O UNL 1 -3.708 -1.502 -3.565 1.00 0.00 O HETATM 25 C UNL 1 5.818 0.232 1.258 1.00 0.00 C HETATM 26 C UNL 1 6.462 -0.814 2.206 1.00 0.00 C HETATM 27 O UNL 1 6.344 -2.161 1.739 1.00 0.00 O HETATM 28 C UNL 1 5.004 -2.539 1.439 1.00 0.00 C HETATM 29 C UNL 1 4.502 -1.649 0.328 1.00 0.00 C HETATM 30 H UNL 1 3.851 -0.263 1.838 1.00 0.00 H HETATM 31 H UNL 1 5.401 2.615 -2.581 1.00 0.00 H HETATM 32 H UNL 1 7.693 2.537 -3.509 1.00 0.00 H HETATM 33 H UNL 1 6.102 0.512 -6.944 1.00 0.00 H HETATM 34 H UNL 1 -0.300 0.063 0.534 1.00 0.00 H HETATM 35 H UNL 1 -2.635 -0.535 0.052 1.00 0.00 H HETATM 36 H UNL 1 -1.964 0.462 -4.086 1.00 0.00 H HETATM 37 H UNL 1 0.283 1.072 -3.611 1.00 0.00 H HETATM 38 H UNL 1 -5.067 -0.496 -0.639 1.00 0.00 H HETATM 39 H UNL 1 -4.435 -2.104 -1.087 1.00 0.00 H HETATM 40 H UNL 1 -5.814 -1.443 -1.931 1.00 0.00 H HETATM 41 H UNL 1 -4.876 1.454 -2.486 1.00 0.00 H HETATM 42 H UNL 1 -5.686 0.281 -3.546 1.00 0.00 H HETATM 43 H UNL 1 -4.196 1.019 -4.070 1.00 0.00 H HETATM 44 H UNL 1 -4.306 -2.253 -3.430 1.00 0.00 H HETATM 45 H UNL 1 5.819 1.207 1.758 1.00 0.00 H HETATM 46 H UNL 1 6.444 0.326 0.362 1.00 0.00 H HETATM 47 H UNL 1 6.021 -0.760 3.209 1.00 0.00 H HETATM 48 H UNL 1 7.534 -0.618 2.319 1.00 0.00 H HETATM 49 H UNL 1 4.372 -2.454 2.332 1.00 0.00 H HETATM 50 H UNL 1 4.987 -3.583 1.117 1.00 0.00 H HETATM 51 H UNL 1 3.545 -1.998 -0.060 1.00 0.00 H HETATM 52 H UNL 1 5.218 -1.655 -0.510 1.00 0.00 H CONECT 1 2 5 CONECT 2 1 3 15 CONECT 3 2 4 7 CONECT 4 3 5 CONECT 5 4 1 6 CONECT 6 5 25 29 30 CONECT 7 3 8 CONECT 8 7 9 13 CONECT 9 8 10 31 CONECT 10 9 11 32 CONECT 11 10 12 14 CONECT 12 11 13 33 CONECT 13 12 8 CONECT 14 11 CONECT 15 2 16 20 CONECT 16 15 17 34 CONECT 17 16 18 35 CONECT 18 17 19 21 CONECT 19 18 20 36 CONECT 20 19 15 37 CONECT 21 18 22 23 24 CONECT 22 21 38 39 40 CONECT 23 21 41 42 43 CONECT 24 21 44 CONECT 25 6 26 45 46 CONECT 26 25 27 47 48 CONECT 27 26 28 CONECT 28 27 29 49 50 CONECT 29 28 6 51 52 CONECT 30 6 CONECT 31 9 CONECT 32 10 CONECT 33 12 CONECT 34 16 CONECT 35 17 CONECT 36 19 CONECT 37 20 CONECT 38 22 CONECT 39 22 CONECT 40 22 CONECT 41 23 CONECT 42 23 CONECT 43 23 CONECT 44 24 CONECT 45 25 CONECT 46 25 CONECT 47 26 CONECT 48 26 CONECT 49 28 CONECT 50 28 CONECT 51 29 CONECT 52 29 MASTER 0 0 0 0 0 0 0 0 52 0 52 0 END M END $$$$