D01MKD AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 -3.138 1.648 -2.846 1.00 0.00 N HETATM 2 C UNL 1 -2.724 2.742 -3.716 1.00 0.00 C HETATM 3 C UNL 1 -1.187 2.850 -3.542 1.00 0.00 C HETATM 4 N UNL 1 -0.789 3.169 -2.254 1.00 0.00 N HETATM 5 C UNL 1 0.617 3.212 -1.881 1.00 0.00 C HETATM 6 C UNL 1 0.879 2.789 -0.401 1.00 0.00 C HETATM 7 N UNL 1 -0.044 1.906 0.147 1.00 0.00 N HETATM 8 C UNL 1 -0.056 1.380 1.540 1.00 0.00 C HETATM 9 C UNL 1 -0.804 2.373 2.427 1.00 0.00 C HETATM 10 C UNL 1 -0.041 3.570 2.961 1.00 0.00 C HETATM 11 C UNL 1 -0.965 4.728 3.279 1.00 0.00 C HETATM 12 C UNL 1 -3.415 4.083 -3.533 1.00 0.00 C HETATM 13 C UNL 1 -2.955 5.126 -4.582 1.00 0.00 C HETATM 14 O UNL 1 -0.401 2.593 -4.448 1.00 0.00 O HETATM 15 O UNL 1 1.906 3.109 0.185 1.00 0.00 O HETATM 16 O UNL 1 -2.001 2.199 2.676 1.00 0.00 O HETATM 17 C UNL 1 -3.242 4.684 -6.021 1.00 0.00 C HETATM 18 C UNL 1 -3.628 6.467 -4.302 1.00 0.00 C HETATM 19 C UNL 1 1.287 4.530 -2.335 1.00 0.00 C HETATM 20 C UNL 1 0.757 5.858 -1.747 1.00 0.00 C HETATM 21 C UNL 1 1.289 0.941 2.149 1.00 0.00 C HETATM 22 C UNL 1 1.356 0.329 3.540 1.00 0.00 C HETATM 23 C UNL 1 0.259 -0.097 4.314 1.00 0.00 C HETATM 24 C UNL 1 0.449 -0.626 5.605 1.00 0.00 C HETATM 25 C UNL 1 1.735 -0.766 6.138 1.00 0.00 C HETATM 26 C UNL 1 2.831 -0.386 5.358 1.00 0.00 C HETATM 27 C UNL 1 2.639 0.157 4.088 1.00 0.00 C HETATM 28 C UNL 1 0.930 5.952 -0.235 1.00 0.00 C HETATM 29 C UNL 1 1.488 7.042 -2.397 1.00 0.00 C HETATM 30 C UNL 1 -6.418 -2.947 0.035 1.00 0.00 C HETATM 31 N UNL 1 -7.974 -2.743 -1.846 1.00 0.00 N HETATM 32 CA UNL 1 -6.876 -2.026 -1.124 1.00 0.00 C HETATM 33 C UNL 1 -7.242 -0.577 -0.669 1.00 0.00 C HETATM 34 C UNL 1 -6.022 0.276 -0.327 1.00 0.00 C HETATM 35 C UNL 1 -5.998 1.663 -0.487 1.00 0.00 C HETATM 36 C UNL 1 -4.916 2.233 -1.201 1.00 0.00 C HETATM 37 C UNL 1 -4.026 1.383 -1.854 1.00 0.00 C HETATM 38 C UNL 1 -4.086 0.039 -1.483 1.00 0.00 C HETATM 39 C UNL 1 -4.792 -0.336 -0.368 1.00 0.00 C HETATM 40 O UNL 1 -5.925 -2.612 1.099 1.00 0.00 O HETATM 41 OXT UNL 1 -6.603 -4.255 -0.304 1.00 0.00 O HETATM 42 C UNL 1 2.038 -1.344 7.482 1.00 0.00 C HETATM 43 O UNL 1 3.104 -1.935 7.652 1.00 0.00 O HETATM 44 C UNL 1 1.083 -1.158 8.632 1.00 0.00 C HETATM 45 C UNL 1 1.164 -0.665 -1.450 1.00 0.00 C HETATM 46 C UNL 1 2.595 -0.385 -1.045 1.00 0.00 C HETATM 47 H UNL 1 -2.611 0.814 -3.111 1.00 0.00 H HETATM 48 H UNL 1 -2.903 2.381 -4.734 1.00 0.00 H HETATM 49 H UNL 1 -1.502 3.414 -1.576 1.00 0.00 H HETATM 50 H UNL 1 1.111 2.421 -2.461 1.00 0.00 H HETATM 51 H UNL 1 -0.861 1.695 -0.416 1.00 0.00 H HETATM 52 H UNL 1 -0.693 0.486 1.477 1.00 0.00 H HETATM 53 H UNL 1 0.685 3.903 2.218 1.00 0.00 H HETATM 54 H UNL 1 0.506 3.259 3.856 1.00 0.00 H HETATM 55 H UNL 1 -1.386 5.144 2.358 1.00 0.00 H HETATM 56 H UNL 1 -0.414 5.520 3.794 1.00 0.00 H HETATM 57 H UNL 1 -1.798 4.417 3.917 1.00 0.00 H HETATM 58 H UNL 1 -3.216 4.482 -2.532 1.00 0.00 H HETATM 59 H UNL 1 -4.500 3.952 -3.614 1.00 0.00 H HETATM 60 H UNL 1 -1.872 5.279 -4.488 1.00 0.00 H HETATM 61 H UNL 1 -4.281 4.357 -6.137 1.00 0.00 H HETATM 62 H UNL 1 -2.590 3.857 -6.321 1.00 0.00 H HETATM 63 H UNL 1 -3.060 5.500 -6.728 1.00 0.00 H HETATM 64 H UNL 1 -4.718 6.383 -4.361 1.00 0.00 H HETATM 65 H UNL 1 -3.303 7.223 -5.024 1.00 0.00 H HETATM 66 H UNL 1 -3.365 6.827 -3.302 1.00 0.00 H HETATM 67 H UNL 1 1.173 4.599 -3.427 1.00 0.00 H HETATM 68 H UNL 1 2.367 4.461 -2.152 1.00 0.00 H HETATM 69 H UNL 1 -0.310 5.959 -1.981 1.00 0.00 H HETATM 70 H UNL 1 1.963 1.803 2.174 1.00 0.00 H HETATM 71 H UNL 1 1.740 0.206 1.476 1.00 0.00 H HETATM 72 H UNL 1 -0.759 -0.034 3.935 1.00 0.00 H HETATM 73 H UNL 1 -0.423 -0.957 6.174 1.00 0.00 H HETATM 74 H UNL 1 3.845 -0.500 5.740 1.00 0.00 H HETATM 75 H UNL 1 3.516 0.450 3.511 1.00 0.00 H HETATM 76 H UNL 1 1.960 5.722 0.059 1.00 0.00 H HETATM 77 H UNL 1 0.251 5.266 0.275 1.00 0.00 H HETATM 78 H UNL 1 0.699 6.958 0.131 1.00 0.00 H HETATM 79 H UNL 1 2.571 6.977 -2.239 1.00 0.00 H HETATM 80 H UNL 1 1.147 7.994 -1.974 1.00 0.00 H HETATM 81 H UNL 1 1.304 7.077 -3.476 1.00 0.00 H HETATM 82 H1 UNL 1 -8.228 -2.190 -2.668 1.00 0.00 H HETATM 83 H2 UNL 1 -8.806 -2.741 -1.251 1.00 0.00 H HETATM 84 HA UNL 1 -6.048 -2.001 -1.844 1.00 0.00 H HETATM 85 H UNL 1 -7.946 -0.587 0.168 1.00 0.00 H HETATM 86 H UNL 1 -7.733 -0.086 -1.522 1.00 0.00 H HETATM 87 H UNL 1 -6.855 2.277 -0.223 1.00 0.00 H HETATM 88 H UNL 1 -4.906 3.306 -1.350 1.00 0.00 H HETATM 89 H UNL 1 -3.738 -0.736 -2.161 1.00 0.00 H HETATM 90 H UNL 1 -4.210 -0.126 0.555 1.00 0.00 H HETATM 91 HXT UNL 1 -7.069 -4.247 -1.176 1.00 0.00 H HETATM 92 H UNL 1 0.239 -0.515 8.384 1.00 0.00 H HETATM 93 H UNL 1 1.628 -0.686 9.459 1.00 0.00 H HETATM 94 H UNL 1 0.717 -2.135 8.958 1.00 0.00 H HETATM 95 H UNL 1 1.096 -1.610 -1.993 1.00 0.00 H HETATM 96 H UNL 1 0.782 0.128 -2.099 1.00 0.00 H HETATM 97 H UNL 1 0.516 -0.734 -0.572 1.00 0.00 H HETATM 98 H UNL 1 3.249 -0.373 -1.920 1.00 0.00 H HETATM 99 H UNL 1 2.951 -1.152 -0.351 1.00 0.00 H HETATM 100 H UNL 1 2.684 0.586 -0.552 1.00 0.00 H CONECT 1 37 2 47 CONECT 2 12 3 1 48 CONECT 3 4 14 2 CONECT 4 3 5 49 CONECT 5 19 6 4 50 CONECT 6 7 15 5 CONECT 7 6 8 51 CONECT 8 21 9 7 52 CONECT 9 10 16 8 CONECT 10 9 11 53 54 CONECT 11 10 55 56 57 CONECT 12 2 13 58 59 CONECT 13 12 17 18 60 CONECT 14 3 CONECT 15 6 CONECT 16 9 CONECT 17 13 61 62 63 CONECT 18 13 64 65 66 CONECT 19 5 20 67 68 CONECT 20 19 28 29 69 CONECT 21 8 22 70 71 CONECT 22 21 23 27 CONECT 23 22 24 72 CONECT 24 23 25 73 CONECT 25 24 26 42 CONECT 26 25 27 74 CONECT 27 26 22 75 CONECT 28 20 76 77 78 CONECT 29 20 79 80 81 CONECT 30 40 41 32 CONECT 31 32 82 83 CONECT 32 33 30 31 84 CONECT 33 32 34 85 86 CONECT 34 33 35 39 CONECT 35 34 36 87 CONECT 36 35 37 88 CONECT 37 36 38 1 CONECT 38 37 39 89 CONECT 39 38 34 90 CONECT 40 30 CONECT 41 30 91 CONECT 42 25 43 44 CONECT 43 42 CONECT 44 42 92 93 94 CONECT 45 46 95 96 97 CONECT 46 45 98 99 100 CONECT 47 1 CONECT 48 2 CONECT 49 4 CONECT 50 5 CONECT 51 7 CONECT 52 8 CONECT 53 10 CONECT 54 10 CONECT 55 11 CONECT 56 11 CONECT 57 11 CONECT 58 12 CONECT 59 12 CONECT 60 13 CONECT 61 17 CONECT 62 17 CONECT 63 17 CONECT 64 18 CONECT 65 18 CONECT 66 18 CONECT 67 19 CONECT 68 19 CONECT 69 20 CONECT 70 21 CONECT 71 21 CONECT 72 23 CONECT 73 24 CONECT 74 26 CONECT 75 27 CONECT 76 28 CONECT 77 28 CONECT 78 28 CONECT 79 29 CONECT 80 29 CONECT 81 29 CONECT 82 31 CONECT 83 31 CONECT 84 32 CONECT 85 33 CONECT 86 33 CONECT 87 35 CONECT 88 36 CONECT 89 38 CONECT 90 39 CONECT 91 41 CONECT 92 44 CONECT 93 44 CONECT 94 44 CONECT 95 45 CONECT 96 45 CONECT 97 45 CONECT 98 46 CONECT 99 46 CONECT 100 46 MASTER 0 0 0 0 0 0 0 0 100 0 100 0 END M END $$$$