D03VPP AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.086 -1.873 -1.246 1.00 0.00 C HETATM 2 N UNL 1 3.024 -0.677 -0.421 1.00 0.00 N HETATM 3 C UNL 1 2.684 -0.936 0.999 1.00 0.00 C HETATM 4 C UNL 1 2.716 0.446 1.739 1.00 0.00 C HETATM 5 N UNL 1 3.581 1.388 1.175 1.00 0.00 N HETATM 6 O UNL 1 2.058 0.645 2.765 1.00 0.00 O HETATM 7 C UNL 1 3.618 -1.943 1.688 1.00 0.00 C HETATM 8 C UNL 1 3.974 2.678 1.782 1.00 0.00 C HETATM 9 C UNL 1 5.105 2.415 2.898 1.00 0.00 C HETATM 10 C UNL 1 4.223 3.909 0.547 1.00 0.00 C HETATM 11 O UNL 1 4.507 3.590 -0.608 1.00 0.00 O HETATM 12 N UNL 1 3.949 5.281 0.910 1.00 0.00 N HETATM 13 C UNL 1 3.957 6.886 0.085 1.00 0.00 C HETATM 14 C UNL 1 6.384 1.848 2.260 1.00 0.00 C HETATM 15 C UNL 1 5.470 3.683 3.692 1.00 0.00 C HETATM 16 C UNL 1 3.373 7.257 1.478 1.00 0.00 C HETATM 17 C UNL 1 2.166 6.400 1.480 1.00 0.00 C HETATM 18 C UNL 1 2.898 5.182 1.914 1.00 0.00 C HETATM 19 C UNL 1 4.391 8.664 -0.063 1.00 0.00 C HETATM 20 C UNL 1 4.544 9.127 1.413 1.00 0.00 C HETATM 21 N UNL 1 3.351 8.603 1.976 1.00 0.00 N HETATM 22 H UNL 1 5.022 6.674 -0.093 1.00 0.00 H HETATM 23 C UNL 1 3.436 9.872 -0.635 1.00 0.00 C HETATM 24 H UNL 1 4.143 6.945 2.224 1.00 0.00 H HETATM 25 C UNL 1 4.681 1.391 3.996 1.00 0.00 C HETATM 26 C UNL 1 2.409 10.047 -1.546 1.00 0.00 C HETATM 27 N UNL 1 1.769 11.253 -1.199 1.00 0.00 N HETATM 28 C UNL 1 2.472 11.840 -0.143 1.00 0.00 C HETATM 29 N UNL 1 3.591 11.144 0.013 1.00 0.00 N HETATM 30 C UNL 1 0.476 11.708 -1.554 1.00 0.00 C HETATM 31 C UNL 1 -0.279 12.096 -0.487 1.00 0.00 C HETATM 32 C UNL 1 0.426 12.967 0.458 1.00 0.00 C HETATM 33 C UNL 1 1.773 12.896 0.646 1.00 0.00 C HETATM 34 C UNL 1 2.341 13.831 1.689 1.00 0.00 C HETATM 35 C UNL 1 1.573 14.519 2.674 1.00 0.00 C HETATM 36 C UNL 1 2.133 15.495 3.517 1.00 0.00 C HETATM 37 C UNL 1 3.500 15.667 3.529 1.00 0.00 C HETATM 38 C UNL 1 4.254 14.738 2.832 1.00 0.00 C HETATM 39 C UNL 1 3.716 14.003 1.773 1.00 0.00 C HETATM 40 S UNL 1 1.875 9.362 2.171 1.00 0.00 S HETATM 41 O UNL 1 2.095 10.732 2.613 1.00 0.00 O HETATM 42 O UNL 1 1.000 9.055 1.071 1.00 0.00 O HETATM 43 C UNL 1 1.259 8.532 3.613 1.00 0.00 C HETATM 44 H UNL 1 3.199 -1.570 -2.292 1.00 0.00 H HETATM 45 H UNL 1 2.177 -2.477 -1.168 1.00 0.00 H HETATM 46 H UNL 1 3.958 -2.486 -1.003 1.00 0.00 H HETATM 47 H UNL 1 2.286 -0.072 -0.791 1.00 0.00 H HETATM 48 H UNL 1 1.653 -1.315 1.051 1.00 0.00 H HETATM 49 H UNL 1 4.026 1.088 0.316 1.00 0.00 H HETATM 50 H UNL 1 4.631 -1.547 1.809 1.00 0.00 H HETATM 51 H UNL 1 3.686 -2.894 1.150 1.00 0.00 H HETATM 52 H UNL 1 3.241 -2.191 2.688 1.00 0.00 H HETATM 53 H UNL 1 3.080 2.967 2.342 1.00 0.00 H HETATM 54 H UNL 1 6.823 2.552 1.548 1.00 0.00 H HETATM 55 H UNL 1 6.183 0.904 1.745 1.00 0.00 H HETATM 56 H UNL 1 7.138 1.633 3.028 1.00 0.00 H HETATM 57 H UNL 1 5.910 4.454 3.059 1.00 0.00 H HETATM 58 H UNL 1 6.205 3.458 4.474 1.00 0.00 H HETATM 59 H UNL 1 4.595 4.086 4.213 1.00 0.00 H HETATM 60 H UNL 1 1.756 6.238 0.464 1.00 0.00 H HETATM 61 H UNL 1 1.310 6.623 2.091 1.00 0.00 H HETATM 62 H UNL 1 2.541 5.246 2.966 1.00 0.00 H HETATM 63 H UNL 1 3.766 5.178 2.609 1.00 0.00 H HETATM 64 H UNL 1 5.313 8.731 -0.659 1.00 0.00 H HETATM 65 H UNL 1 4.711 10.215 1.595 1.00 0.00 H HETATM 66 H UNL 1 5.463 8.675 1.805 1.00 0.00 H HETATM 67 H UNL 1 4.530 0.382 3.604 1.00 0.00 H HETATM 68 H UNL 1 3.773 1.706 4.524 1.00 0.00 H HETATM 69 H UNL 1 5.462 1.286 4.761 1.00 0.00 H HETATM 70 H UNL 1 1.939 9.417 -2.284 1.00 0.00 H HETATM 71 H UNL 1 0.627 12.541 -2.250 1.00 0.00 H HETATM 72 H UNL 1 -0.719 11.283 0.104 1.00 0.00 H HETATM 73 H UNL 1 -0.226 13.637 1.006 1.00 0.00 H HETATM 74 H UNL 1 0.514 14.325 2.815 1.00 0.00 H HETATM 75 H UNL 1 1.515 16.066 4.205 1.00 0.00 H HETATM 76 H UNL 1 3.974 16.422 4.151 1.00 0.00 H HETATM 77 H UNL 1 5.159 14.354 3.303 1.00 0.00 H HETATM 78 H UNL 1 4.385 13.493 1.087 1.00 0.00 H HETATM 79 H UNL 1 0.190 8.343 3.465 1.00 0.00 H HETATM 80 H UNL 1 1.428 9.174 4.479 1.00 0.00 H HETATM 81 H UNL 1 1.784 7.598 3.779 1.00 0.00 H CONECT 1 2 44 45 46 CONECT 2 1 3 47 CONECT 3 7 4 2 48 CONECT 4 5 6 3 CONECT 5 4 8 49 CONECT 6 4 CONECT 7 3 50 51 52 CONECT 8 5 9 10 53 CONECT 9 8 14 15 25 CONECT 10 8 11 12 CONECT 11 10 CONECT 12 13 18 10 CONECT 13 12 16 19 22 CONECT 14 9 54 55 56 CONECT 15 9 57 58 59 CONECT 16 13 17 21 24 CONECT 17 16 18 60 61 CONECT 18 17 12 62 63 CONECT 19 13 20 23 64 CONECT 20 19 21 65 66 CONECT 21 20 16 40 CONECT 22 13 CONECT 23 26 29 19 CONECT 24 16 CONECT 25 9 67 68 69 CONECT 26 23 27 70 CONECT 27 26 28 30 CONECT 28 27 29 33 CONECT 29 28 23 CONECT 30 27 31 71 CONECT 31 30 32 72 CONECT 32 31 33 73 CONECT 33 32 28 34 CONECT 34 33 35 39 CONECT 35 34 36 74 CONECT 36 35 37 75 CONECT 37 36 38 76 CONECT 38 37 39 77 CONECT 39 38 34 78 CONECT 40 41 42 43 21 CONECT 41 40 CONECT 42 40 CONECT 43 40 79 80 81 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 2 CONECT 48 3 CONECT 49 5 CONECT 50 7 CONECT 51 7 CONECT 52 7 CONECT 53 8 CONECT 54 14 CONECT 55 14 CONECT 56 14 CONECT 57 15 CONECT 58 15 CONECT 59 15 CONECT 60 17 CONECT 61 17 CONECT 62 18 CONECT 63 18 CONECT 64 19 CONECT 65 20 CONECT 66 20 CONECT 67 25 CONECT 68 25 CONECT 69 25 CONECT 70 26 CONECT 71 30 CONECT 72 31 CONECT 73 32 CONECT 74 35 CONECT 75 36 CONECT 76 37 CONECT 77 38 CONECT 78 39 CONECT 79 43 CONECT 80 43 CONECT 81 43 MASTER 0 0 0 0 0 0 0 0 81 0 81 0 END M END $$$$