COMPND HMDB0031148 HETATM 1 C1 UNL 1 -4.347 -5.549 0.947 1.00 0.00 C HETATM 2 C2 UNL 1 -4.289 -4.381 0.367 1.00 0.00 C HETATM 3 C3 UNL 1 -3.044 -3.654 0.154 1.00 0.00 C HETATM 4 C4 UNL 1 -1.763 -4.142 0.088 1.00 0.00 C HETATM 5 C5 UNL 1 -1.335 -5.591 0.153 1.00 0.00 C HETATM 6 C6 UNL 1 -0.909 -3.072 -0.057 1.00 0.00 C HETATM 7 N1 UNL 1 -1.661 -1.992 -0.047 1.00 0.00 N HETATM 8 C7 UNL 1 -2.930 -2.275 0.043 1.00 0.00 C HETATM 9 C8 UNL 1 -3.910 -1.457 -0.396 1.00 0.00 C HETATM 10 C9 UNL 1 -3.721 -0.016 -0.487 1.00 0.00 C HETATM 11 N2 UNL 1 -2.707 0.638 -0.195 1.00 0.00 N1+ HETATM 12 C10 UNL 1 -3.036 1.959 0.053 1.00 0.00 C HETATM 13 C11 UNL 1 -2.286 2.910 0.571 1.00 0.00 C HETATM 14 C12 UNL 1 -0.913 2.667 0.932 1.00 0.00 C HETATM 15 C13 UNL 1 0.024 3.607 1.319 1.00 0.00 C HETATM 16 C14 UNL 1 -0.205 5.026 1.643 1.00 0.00 C HETATM 17 C15 UNL 1 1.272 3.015 1.372 1.00 0.00 C HETATM 18 C16 UNL 1 1.019 1.735 1.006 1.00 0.00 C HETATM 19 N3 UNL 1 -0.228 1.541 0.777 1.00 0.00 N HETATM 20 MG1 UNL 1 -0.924 -0.154 0.028 1.00 0.00 MG2- HETATM 21 N4 UNL 1 0.906 -0.804 -0.313 1.00 0.00 N1+ HETATM 22 C17 UNL 1 1.158 -1.946 -0.759 1.00 0.00 C HETATM 23 C18 UNL 1 0.285 -3.115 -0.649 1.00 0.00 C HETATM 24 C19 UNL 1 2.575 -2.013 -1.035 1.00 0.00 C HETATM 25 C20 UNL 1 3.302 -3.187 -1.656 1.00 0.00 C HETATM 26 C21 UNL 1 3.165 -0.871 -0.676 1.00 0.00 C HETATM 27 C22 UNL 1 4.600 -0.659 -0.849 1.00 0.00 C HETATM 28 C23 UNL 1 5.443 -0.778 0.392 1.00 0.00 C HETATM 29 C24 UNL 1 5.296 -2.136 0.982 1.00 0.00 C HETATM 30 O1 UNL 1 4.238 -2.411 1.586 1.00 0.00 O HETATM 31 O2 UNL 1 6.284 -3.082 0.878 1.00 0.00 O HETATM 32 C25 UNL 1 2.080 -0.051 -0.173 1.00 0.00 C HETATM 33 C26 UNL 1 2.193 1.041 0.599 1.00 0.00 C HETATM 34 C27 UNL 1 3.325 1.804 1.122 1.00 0.00 C HETATM 35 C28 UNL 1 4.204 2.399 0.052 1.00 0.00 C HETATM 36 O3 UNL 1 3.714 2.509 -1.087 1.00 0.00 O HETATM 37 O4 UNL 1 5.476 2.803 0.323 1.00 0.00 O HETATM 38 C29 UNL 1 6.224 3.361 -0.768 1.00 0.00 C HETATM 39 C30 UNL 1 2.678 3.092 1.654 1.00 0.00 C HETATM 40 O5 UNL 1 3.287 3.999 2.212 1.00 0.00 O HETATM 41 C31 UNL 1 -4.465 2.084 -0.186 1.00 0.00 C HETATM 42 C32 UNL 1 -5.305 3.320 -0.098 1.00 0.00 C HETATM 43 C33 UNL 1 -4.741 4.352 -1.062 1.00 0.00 C HETATM 44 C34 UNL 1 -4.863 0.892 -0.515 1.00 0.00 C HETATM 45 C35 UNL 1 -6.286 0.564 -0.879 1.00 0.00 C HETATM 46 H1 UNL 1 -3.508 -6.073 1.314 1.00 0.00 H HETATM 47 H2 UNL 1 -5.324 -6.021 1.068 1.00 0.00 H HETATM 48 H3 UNL 1 -5.208 -3.885 -0.001 1.00 0.00 H HETATM 49 H4 UNL 1 -2.009 -6.146 -0.486 1.00 0.00 H HETATM 50 H5 UNL 1 -1.197 -5.888 1.181 1.00 0.00 H HETATM 51 H6 UNL 1 -0.317 -5.684 -0.346 1.00 0.00 H HETATM 52 H7 UNL 1 -4.835 -1.894 -0.691 1.00 0.00 H HETATM 53 H8 UNL 1 -2.686 3.882 0.731 1.00 0.00 H HETATM 54 H9 UNL 1 0.315 5.209 2.603 1.00 0.00 H HETATM 55 H10 UNL 1 0.093 5.694 0.825 1.00 0.00 H HETATM 56 H11 UNL 1 -1.315 5.140 1.824 1.00 0.00 H HETATM 57 H12 UNL 1 0.612 -4.035 -1.059 1.00 0.00 H HETATM 58 H13 UNL 1 3.812 -3.762 -0.880 1.00 0.00 H HETATM 59 H14 UNL 1 2.510 -3.852 -2.112 1.00 0.00 H HETATM 60 H15 UNL 1 3.921 -2.872 -2.488 1.00 0.00 H HETATM 61 H16 UNL 1 4.985 -1.519 -1.501 1.00 0.00 H HETATM 62 H17 UNL 1 4.867 0.204 -1.497 1.00 0.00 H HETATM 63 H18 UNL 1 5.341 -0.016 1.147 1.00 0.00 H HETATM 64 H19 UNL 1 6.534 -0.727 0.091 1.00 0.00 H HETATM 65 H20 UNL 1 6.463 -3.671 0.101 1.00 0.00 H HETATM 66 H21 UNL 1 3.864 1.378 1.962 1.00 0.00 H HETATM 67 H22 UNL 1 6.395 2.569 -1.537 1.00 0.00 H HETATM 68 H23 UNL 1 7.223 3.607 -0.351 1.00 0.00 H HETATM 69 H24 UNL 1 5.721 4.254 -1.170 1.00 0.00 H HETATM 70 H25 UNL 1 -6.312 3.019 -0.368 1.00 0.00 H HETATM 71 H26 UNL 1 -5.175 3.711 0.925 1.00 0.00 H HETATM 72 H27 UNL 1 -3.756 4.026 -1.469 1.00 0.00 H HETATM 73 H28 UNL 1 -5.437 4.462 -1.899 1.00 0.00 H HETATM 74 H29 UNL 1 -4.632 5.344 -0.592 1.00 0.00 H HETATM 75 H30 UNL 1 -6.601 1.385 -1.542 1.00 0.00 H HETATM 76 H31 UNL 1 -6.307 -0.360 -1.486 1.00 0.00 H HETATM 77 H32 UNL 1 -6.919 0.539 0.002 1.00 0.00 H CONECT 1 2 2 46 47 CONECT 2 3 48 CONECT 3 4 4 8 CONECT 4 5 6 CONECT 5 49 50 51 CONECT 6 7 23 23 CONECT 7 8 20 CONECT 8 9 9 CONECT 9 10 52 CONECT 10 11 11 44 CONECT 11 12 20 CONECT 12 13 13 41 CONECT 13 14 53 CONECT 14 15 15 19 CONECT 15 16 17 CONECT 16 54 55 56 CONECT 17 18 18 39 CONECT 18 19 33 CONECT 19 20 CONECT 20 21 CONECT 21 22 22 32 CONECT 22 23 24 CONECT 23 57 CONECT 24 25 26 26 CONECT 25 58 59 60 CONECT 26 27 32 CONECT 27 28 61 62 CONECT 28 29 63 64 CONECT 29 30 30 31 CONECT 31 65 CONECT 32 33 33 CONECT 33 34 CONECT 34 35 39 66 CONECT 35 36 36 37 CONECT 37 38 CONECT 38 67 68 69 CONECT 39 40 40 CONECT 41 42 44 44 CONECT 42 43 70 71 CONECT 43 72 73 74 CONECT 44 45 CONECT 45 75 76 77 END