D01UAL AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNK A 0 1.359 0.494 -0.644 1.00 0.00 N HETATM 2 C UNK A 0 0.475 1.095 -1.591 1.00 0.00 C HETATM 3 N UNK A 0 0.719 2.282 -2.177 1.00 0.00 N HETATM 4 C UNK A 0 1.812 2.898 -1.658 1.00 0.00 C HETATM 5 C UNK A 0 2.687 2.426 -0.642 1.00 0.00 C HETATM 6 C UNK A 0 2.582 1.121 -0.142 1.00 0.00 C HETATM 7 N UNK A 0 2.319 4.131 -1.981 1.00 0.00 N HETATM 8 C UNK A 0 3.297 4.384 -1.020 1.00 0.00 C HETATM 9 N UNK A 0 3.526 3.401 -0.209 1.00 0.00 N ATOM 10 N VAL A 1 -0.714 0.396 -1.923 1.00 0.00 N ATOM 11 CA VAL A 1 -2.063 0.813 -2.569 1.00 0.00 C ATOM 12 C VAL A 1 -2.157 0.300 -4.043 1.00 0.00 C ATOM 13 O VAL A 1 -1.610 -1.012 -4.132 1.00 0.00 O HETATM 14 C UNK A 0 2.049 5.159 -2.982 1.00 0.00 C HETATM 15 C UNK A 0 2.275 5.056 -4.500 1.00 0.00 C HETATM 16 C UNK A 0 1.053 6.280 -2.600 1.00 0.00 C HETATM 17 N UNK A 0 3.491 0.513 0.879 1.00 0.00 N HETATM 18 C UNK A 0 4.825 0.522 1.578 1.00 0.00 C HETATM 19 C UNK A 0 6.053 1.238 1.340 1.00 0.00 C HETATM 20 C UNK A 0 7.256 0.512 0.978 1.00 0.00 C HETATM 21 C UNK A 0 7.107 -0.833 0.724 1.00 0.00 C HETATM 22 C UNK A 0 6.341 -1.359 1.772 1.00 0.00 C HETATM 23 C UNK A 0 5.137 -0.718 2.167 1.00 0.00 C HETATM 24 CL UNK A 0 7.217 -2.142 3.087 1.00 0.00 Cl HETATM 25 C UNK A 0 6.505 -0.806 -0.672 1.00 0.00 C HETATM 26 N UNK A 0 7.375 -0.589 -1.735 1.00 0.00 N HETATM 27 O UNK A 0 5.294 -0.781 -0.852 1.00 0.00 O HETATM 28 C UNK A 0 6.808 -0.061 -2.982 1.00 0.00 C HETATM 29 C UNK A 0 6.581 1.511 -3.089 1.00 0.00 C HETATM 30 N UNK A 0 7.775 2.420 -3.312 1.00 0.00 N HETATM 31 C UNK A 0 7.026 5.283 -2.532 1.00 0.00 C HETATM 32 C UNK A 0 5.968 6.311 -2.194 1.00 0.00 C HETATM 33 C UNK A 0 5.915 6.870 -0.829 1.00 0.00 C HETATM 34 C UNK A 0 6.799 6.265 0.036 1.00 0.00 C HETATM 35 C UNK A 0 8.025 5.907 -0.470 1.00 0.00 C HETATM 36 C UNK A 0 8.160 5.452 -1.754 1.00 0.00 C HETATM 37 C UNK A 0 4.966 6.945 -2.959 1.00 0.00 C HETATM 38 C UNK A 0 3.997 7.832 -2.342 1.00 0.00 C HETATM 39 C UNK A 0 4.109 8.485 -1.129 1.00 0.00 C HETATM 40 C UNK A 0 5.014 7.931 -0.267 1.00 0.00 C HETATM 41 N UNK A 0 4.990 8.348 1.109 1.00 0.00 N HETATM 42 C UNK A 0 3.688 8.800 1.695 1.00 0.00 C HETATM 43 C UNK A 0 6.002 9.385 1.391 1.00 0.00 C ATOM 44 CB VAL A 1 -3.264 0.148 -1.726 1.00 0.00 C ATOM 45 CG1 VAL A 1 -3.583 0.982 -0.480 1.00 0.00 C ATOM 46 CG2 VAL A 1 -4.633 -0.162 -2.398 1.00 0.00 C HETATM 47 S UNK A 0 7.422 4.064 -4.009 1.00 0.00 S HETATM 48 O UNK A 0 8.782 4.516 -4.385 1.00 0.00 O HETATM 49 O UNK A 0 6.297 4.020 -4.832 1.00 0.00 O HETATM 50 H UNK A 0 3.844 5.302 -0.975 1.00 0.00 H ATOM 51 H VAL A 1 -0.825 -0.320 -1.216 1.00 0.00 H ATOM 52 HA VAL A 1 -2.200 1.903 -2.583 1.00 0.00 H ATOM 53 H1 VAL A 1 -1.618 0.945 -4.743 1.00 0.00 H ATOM 54 H2 VAL A 1 -3.186 0.260 -4.428 1.00 0.00 H ATOM 55 H VAL A 1 -0.779 -0.946 -3.621 1.00 0.00 H HETATM 56 H UNK A 0 3.001 5.648 -2.853 1.00 0.00 H HETATM 57 H UNK A 0 1.370 4.865 -5.074 1.00 0.00 H HETATM 58 H UNK A 0 3.067 4.347 -4.755 1.00 0.00 H HETATM 59 H UNK A 0 2.642 6.040 -4.859 1.00 0.00 H HETATM 60 H UNK A 0 0.043 6.121 -2.969 1.00 0.00 H HETATM 61 H UNK A 0 1.366 7.238 -3.051 1.00 0.00 H HETATM 62 H UNK A 0 1.029 6.445 -1.516 1.00 0.00 H HETATM 63 H UNK A 0 2.954 -0.256 1.262 1.00 0.00 H HETATM 64 H UNK A 0 6.394 1.938 2.142 1.00 0.00 H HETATM 65 H UNK A 0 8.282 0.890 1.057 1.00 0.00 H HETATM 66 H UNK A 0 4.647 -1.000 3.098 1.00 0.00 H HETATM 67 H UNK A 0 8.347 -0.868 -1.671 1.00 0.00 H HETATM 68 H UNK A 0 5.793 -0.488 -3.048 1.00 0.00 H HETATM 69 H UNK A 0 7.346 -0.506 -3.826 1.00 0.00 H HETATM 70 H UNK A 0 6.085 1.857 -2.184 1.00 0.00 H HETATM 71 H UNK A 0 5.926 1.628 -3.956 1.00 0.00 H HETATM 72 H UNK A 0 8.507 2.004 -3.900 1.00 0.00 H HETATM 73 H UNK A 0 6.286 5.461 0.611 1.00 0.00 H HETATM 74 H UNK A 0 8.914 6.032 0.141 1.00 0.00 H HETATM 75 H UNK A 0 9.144 5.320 -2.212 1.00 0.00 H HETATM 76 H UNK A 0 4.807 6.722 -4.012 1.00 0.00 H HETATM 77 H UNK A 0 3.036 7.337 -2.165 1.00 0.00 H HETATM 78 H UNK A 0 3.281 9.095 -0.771 1.00 0.00 H HETATM 79 H UNK A 0 2.842 8.158 1.429 1.00 0.00 H HETATM 80 H UNK A 0 3.439 9.836 1.411 1.00 0.00 H HETATM 81 H UNK A 0 3.756 8.804 2.792 1.00 0.00 H HETATM 82 H UNK A 0 6.950 9.213 0.882 1.00 0.00 H HETATM 83 H UNK A 0 6.189 9.411 2.473 1.00 0.00 H HETATM 84 H UNK A 0 5.632 10.385 1.118 1.00 0.00 H ATOM 85 HB VAL A 1 -2.900 -0.831 -1.393 1.00 0.00 H ATOM 86 HG11 VAL A 1 -4.140 1.892 -0.740 1.00 0.00 H ATOM 87 HG12 VAL A 1 -2.674 1.269 0.048 1.00 0.00 H ATOM 88 HG13 VAL A 1 -4.213 0.409 0.213 1.00 0.00 H ATOM 89 HG21 VAL A 1 -5.186 0.738 -2.693 1.00 0.00 H ATOM 90 HG22 VAL A 1 -5.277 -0.698 -1.683 1.00 0.00 H ATOM 91 HG23 VAL A 1 -4.559 -0.829 -3.262 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 10 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 17 CONECT 7 4 8 14 CONECT 8 7 9 50 CONECT 9 8 5 CONECT 10 2 11 51 CONECT 11 10 12 44 52 CONECT 12 11 13 53 54 CONECT 13 12 55 CONECT 14 7 15 16 56 CONECT 15 14 57 58 59 CONECT 16 14 60 61 62 CONECT 17 6 18 63 CONECT 18 17 19 23 CONECT 19 18 20 64 CONECT 20 19 21 65 CONECT 21 20 22 25 CONECT 22 21 23 24 CONECT 23 22 18 66 CONECT 24 22 CONECT 25 21 26 27 CONECT 26 25 28 67 CONECT 27 25 CONECT 28 26 29 68 69 CONECT 29 28 30 70 71 CONECT 30 29 47 72 CONECT 31 32 36 47 CONECT 32 31 33 37 CONECT 33 32 34 40 CONECT 34 33 35 73 CONECT 35 34 36 74 CONECT 36 35 31 75 CONECT 37 32 38 76 CONECT 38 37 39 77 CONECT 39 38 40 78 CONECT 40 39 33 41 CONECT 41 40 42 43 CONECT 42 41 79 80 81 CONECT 43 41 82 83 84 CONECT 44 11 45 46 85 CONECT 45 44 86 87 88 CONECT 46 44 89 90 91 CONECT 47 30 31 48 49 CONECT 48 47 CONECT 49 47 CONECT 50 8 CONECT 51 10 CONECT 52 11 CONECT 53 12 CONECT 54 12 CONECT 55 13 CONECT 56 14 CONECT 57 15 CONECT 58 15 CONECT 59 15 CONECT 60 16 CONECT 61 16 CONECT 62 16 CONECT 63 17 CONECT 64 19 CONECT 65 20 CONECT 66 23 CONECT 67 26 CONECT 68 28 CONECT 69 28 CONECT 70 29 CONECT 71 29 CONECT 72 30 CONECT 73 34 CONECT 74 35 CONECT 75 36 CONECT 76 37 CONECT 77 38 CONECT 78 39 CONECT 79 42 CONECT 80 42 CONECT 81 42 CONECT 82 43 CONECT 83 43 CONECT 84 43 CONECT 85 44 CONECT 86 45 CONECT 87 45 CONECT 88 45 CONECT 89 46 CONECT 90 46 CONECT 91 46 MASTER 0 0 0 0 0 0 0 0 91 0 91 0 END M END $$$$