D0F3VN AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.343 0.074 0.019 1.00 0.00 C HETATM 2 C UNL 1 2.347 -0.493 0.823 1.00 0.00 C HETATM 3 C UNL 1 2.792 0.161 1.981 1.00 0.00 C HETATM 4 C UNL 1 2.313 1.433 2.275 1.00 0.00 C HETATM 5 C UNL 1 1.284 1.958 1.521 1.00 0.00 C HETATM 6 C UNL 1 0.621 1.142 0.603 1.00 0.00 C HETATM 7 N UNL 1 -0.825 1.138 0.700 1.00 0.00 N HETATM 8 C UNL 1 -1.571 1.965 1.570 1.00 0.00 C HETATM 9 O UNL 1 -1.189 2.986 2.135 1.00 0.00 O HETATM 10 N UNL 1 -2.863 1.513 1.742 1.00 0.00 N HETATM 11 C UNL 1 -3.891 2.389 2.228 1.00 0.00 C HETATM 12 N UNL 1 1.363 -0.207 -1.379 1.00 0.00 N HETATM 13 C UNL 1 1.218 0.987 -2.271 1.00 0.00 C HETATM 14 C UNL 1 1.521 -1.603 -1.877 1.00 0.00 C HETATM 15 C UNL 1 2.792 -2.042 -2.677 1.00 0.00 C HETATM 16 C UNL 1 4.125 -2.007 -1.926 1.00 0.00 C HETATM 17 C UNL 1 2.595 -3.487 -3.191 1.00 0.00 C HETATM 18 C UNL 1 -0.210 1.126 -2.824 1.00 0.00 C HETATM 19 C UNL 1 -0.392 2.258 -3.851 1.00 0.00 C HETATM 20 C UNL 1 0.735 2.374 -4.874 1.00 0.00 C HETATM 21 C UNL 1 2.092 2.369 -4.183 1.00 0.00 C HETATM 22 C UNL 1 2.244 1.058 -3.411 1.00 0.00 C HETATM 23 C UNL 1 -4.780 2.759 1.220 1.00 0.00 C HETATM 24 C UNL 1 -6.124 2.439 1.358 1.00 0.00 C HETATM 25 C UNL 1 -6.586 1.924 2.567 1.00 0.00 C HETATM 26 C UNL 1 -5.758 1.904 3.686 1.00 0.00 C HETATM 27 C UNL 1 -4.401 2.167 3.516 1.00 0.00 C HETATM 28 F UNL 1 -3.590 2.089 4.581 1.00 0.00 F HETATM 29 CL UNL 1 -8.153 1.221 2.638 1.00 0.00 Cl HETATM 30 O UNL 1 2.701 2.244 3.307 1.00 0.00 O HETATM 31 C UNL 1 3.207 1.554 4.430 1.00 0.00 C HETATM 32 C UNL 1 3.290 2.413 5.681 1.00 0.00 C HETATM 33 N UNL 1 2.192 3.253 5.943 1.00 0.00 N HETATM 34 O UNL 1 4.229 2.282 6.457 1.00 0.00 O HETATM 35 S UNL 1 2.105 4.171 7.315 1.00 0.00 S HETATM 36 N UNL 1 0.420 4.356 7.424 1.00 0.00 N HETATM 37 O UNL 1 2.494 3.400 8.477 1.00 0.00 O HETATM 38 O UNL 1 2.672 5.469 7.025 1.00 0.00 O HETATM 39 C UNL 1 -0.340 3.096 7.584 1.00 0.00 C HETATM 40 C UNL 1 0.023 5.336 8.470 1.00 0.00 C HETATM 41 H UNL 1 2.875 -1.385 0.515 1.00 0.00 H HETATM 42 H UNL 1 3.579 -0.301 2.565 1.00 0.00 H HETATM 43 H UNL 1 0.899 2.922 1.807 1.00 0.00 H HETATM 44 H UNL 1 -1.252 0.278 0.367 1.00 0.00 H HETATM 45 H UNL 1 -3.166 0.985 0.939 1.00 0.00 H HETATM 46 H UNL 1 1.425 1.889 -1.677 1.00 0.00 H HETATM 47 H UNL 1 0.656 -1.795 -2.522 1.00 0.00 H HETATM 48 H UNL 1 1.406 -2.303 -1.039 1.00 0.00 H HETATM 49 H UNL 1 2.921 -1.437 -3.574 1.00 0.00 H HETATM 50 H UNL 1 4.096 -2.619 -1.020 1.00 0.00 H HETATM 51 H UNL 1 4.420 -0.987 -1.670 1.00 0.00 H HETATM 52 H UNL 1 4.927 -2.421 -2.556 1.00 0.00 H HETATM 53 H UNL 1 2.374 -4.176 -2.369 1.00 0.00 H HETATM 54 H UNL 1 3.494 -3.860 -3.699 1.00 0.00 H HETATM 55 H UNL 1 1.774 -3.538 -3.913 1.00 0.00 H HETATM 56 H UNL 1 -0.907 1.313 -2.000 1.00 0.00 H HETATM 57 H UNL 1 -0.521 0.181 -3.281 1.00 0.00 H HETATM 58 H UNL 1 -1.342 2.113 -4.380 1.00 0.00 H HETATM 59 H UNL 1 -0.476 3.215 -3.322 1.00 0.00 H HETATM 60 H UNL 1 0.616 3.291 -5.463 1.00 0.00 H HETATM 61 H UNL 1 0.681 1.538 -5.583 1.00 0.00 H HETATM 62 H UNL 1 2.170 3.227 -3.503 1.00 0.00 H HETATM 63 H UNL 1 2.891 2.473 -4.925 1.00 0.00 H HETATM 64 H UNL 1 3.267 0.971 -3.028 1.00 0.00 H HETATM 65 H UNL 1 2.075 0.247 -4.125 1.00 0.00 H HETATM 66 H UNL 1 -4.392 3.115 0.268 1.00 0.00 H HETATM 67 H UNL 1 -6.774 2.508 0.491 1.00 0.00 H HETATM 68 H UNL 1 -6.133 1.599 4.658 1.00 0.00 H HETATM 69 H UNL 1 4.223 1.212 4.208 1.00 0.00 H HETATM 70 H UNL 1 2.570 0.697 4.691 1.00 0.00 H HETATM 71 H UNL 1 1.664 3.627 5.153 1.00 0.00 H HETATM 72 H UNL 1 -0.006 2.334 6.872 1.00 0.00 H HETATM 73 H UNL 1 -1.398 3.285 7.367 1.00 0.00 H HETATM 74 H UNL 1 -0.251 2.703 8.598 1.00 0.00 H HETATM 75 H UNL 1 0.497 6.306 8.302 1.00 0.00 H HETATM 76 H UNL 1 0.278 4.968 9.470 1.00 0.00 H HETATM 77 H UNL 1 -1.060 5.496 8.430 1.00 0.00 H CONECT 1 2 6 12 CONECT 2 1 3 41 CONECT 3 2 4 42 CONECT 4 3 5 30 CONECT 5 4 6 43 CONECT 6 5 1 7 CONECT 7 6 8 44 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 45 CONECT 11 10 23 27 CONECT 12 1 13 14 CONECT 13 12 18 22 46 CONECT 14 12 15 47 48 CONECT 15 14 16 17 49 CONECT 16 15 50 51 52 CONECT 17 15 53 54 55 CONECT 18 13 19 56 57 CONECT 19 18 20 58 59 CONECT 20 19 21 60 61 CONECT 21 20 22 62 63 CONECT 22 21 13 64 65 CONECT 23 11 24 66 CONECT 24 23 25 67 CONECT 25 24 26 29 CONECT 26 25 27 68 CONECT 27 26 11 28 CONECT 28 27 CONECT 29 25 CONECT 30 4 31 CONECT 31 30 32 69 70 CONECT 32 31 33 34 CONECT 33 32 35 71 CONECT 34 32 CONECT 35 33 36 37 38 CONECT 36 35 39 40 CONECT 37 35 CONECT 38 35 CONECT 39 36 72 73 74 CONECT 40 36 75 76 77 CONECT 41 2 CONECT 42 3 CONECT 43 5 CONECT 44 7 CONECT 45 10 CONECT 46 13 CONECT 47 14 CONECT 48 14 CONECT 49 15 CONECT 50 16 CONECT 51 16 CONECT 52 16 CONECT 53 17 CONECT 54 17 CONECT 55 17 CONECT 56 18 CONECT 57 18 CONECT 58 19 CONECT 59 19 CONECT 60 20 CONECT 61 20 CONECT 62 21 CONECT 63 21 CONECT 64 22 CONECT 65 22 CONECT 66 23 CONECT 67 24 CONECT 68 26 CONECT 69 31 CONECT 70 31 CONECT 71 33 CONECT 72 39 CONECT 73 39 CONECT 74 39 CONECT 75 40 CONECT 76 40 CONECT 77 40 MASTER 0 0 0 0 0 0 0 0 77 0 77 0 END M END $$$$