COMPND HMDB0037556 HETATM 1 C1 UNL 1 0.457 -1.788 3.238 1.00 0.00 C HETATM 2 C2 UNL 1 0.564 -1.080 2.134 1.00 0.00 C HETATM 3 C3 UNL 1 -0.316 -1.342 0.923 1.00 0.00 C HETATM 4 C4 UNL 1 0.566 -1.246 -0.268 1.00 0.00 C HETATM 5 C5 UNL 1 2.038 -1.450 0.034 1.00 0.00 C HETATM 6 O1 UNL 1 2.683 -1.561 -1.214 1.00 0.00 O HETATM 7 C6 UNL 1 3.200 -2.733 -1.712 1.00 0.00 C HETATM 8 C7 UNL 1 3.851 -2.694 -3.044 1.00 0.00 C HETATM 9 O2 UNL 1 3.123 -3.783 -1.066 1.00 0.00 O HETATM 10 C8 UNL 1 2.622 -0.531 1.013 1.00 0.00 C HETATM 11 C9 UNL 1 3.517 -1.323 1.986 1.00 0.00 C HETATM 12 C10 UNL 1 3.423 0.631 0.544 1.00 0.00 C HETATM 13 C11 UNL 1 3.508 0.790 -0.937 1.00 0.00 C HETATM 14 C12 UNL 1 2.601 1.390 -1.787 1.00 0.00 C HETATM 15 C13 UNL 1 3.098 1.319 -3.071 1.00 0.00 C HETATM 16 O3 UNL 1 4.265 0.698 -3.008 1.00 0.00 O HETATM 17 C14 UNL 1 4.530 0.376 -1.765 1.00 0.00 C HETATM 18 O4 UNL 1 3.059 1.861 1.150 1.00 0.00 O HETATM 19 C15 UNL 1 2.747 1.894 2.479 1.00 0.00 C HETATM 20 O5 UNL 1 3.100 2.852 3.198 1.00 0.00 O HETATM 21 C16 UNL 1 1.976 0.769 3.061 1.00 0.00 C HETATM 22 O6 UNL 1 2.745 0.050 3.941 1.00 0.00 O HETATM 23 C17 UNL 1 1.478 0.016 1.871 1.00 0.00 C HETATM 24 O7 UNL 1 0.818 0.903 1.031 1.00 0.00 O HETATM 25 C18 UNL 1 -0.559 1.018 1.312 1.00 0.00 C HETATM 26 C19 UNL 1 -1.005 2.299 0.712 1.00 0.00 C HETATM 27 C20 UNL 1 -1.664 2.166 -0.634 1.00 0.00 C HETATM 28 O8 UNL 1 -2.245 3.358 -1.063 1.00 0.00 O HETATM 29 C21 UNL 1 -1.942 4.031 -2.237 1.00 0.00 C HETATM 30 C22 UNL 1 -2.627 5.309 -2.606 1.00 0.00 C HETATM 31 O9 UNL 1 -1.079 3.510 -2.952 1.00 0.00 O HETATM 32 C23 UNL 1 -2.809 1.187 -0.488 1.00 0.00 C HETATM 33 C24 UNL 1 -3.449 1.048 -1.878 1.00 0.00 C HETATM 34 C25 UNL 1 -3.823 1.800 0.389 1.00 0.00 C HETATM 35 C26 UNL 1 -2.264 -0.155 -0.134 1.00 0.00 C HETATM 36 C27 UNL 1 -3.411 -1.113 -0.132 1.00 0.00 C HETATM 37 O10 UNL 1 -4.409 -0.844 0.759 1.00 0.00 O HETATM 38 C28 UNL 1 -3.098 -2.539 -0.159 1.00 0.00 C HETATM 39 O11 UNL 1 -3.677 -3.342 0.656 1.00 0.00 O HETATM 40 O12 UNL 1 -2.199 -3.166 -1.010 1.00 0.00 O HETATM 41 C29 UNL 1 -1.952 -4.561 -0.974 1.00 0.00 C HETATM 42 C30 UNL 1 -1.352 -0.200 1.032 1.00 0.00 C HETATM 43 C31 UNL 1 -2.108 -0.607 2.315 1.00 0.00 C HETATM 44 H1 UNL 1 1.080 -1.606 4.102 1.00 0.00 H HETATM 45 H2 UNL 1 -0.280 -2.581 3.280 1.00 0.00 H HETATM 46 H3 UNL 1 -0.760 -2.321 1.126 1.00 0.00 H HETATM 47 H4 UNL 1 0.485 -0.357 -0.891 1.00 0.00 H HETATM 48 H5 UNL 1 0.304 -2.110 -0.932 1.00 0.00 H HETATM 49 H6 UNL 1 2.074 -2.500 0.468 1.00 0.00 H HETATM 50 H7 UNL 1 3.454 -1.887 -3.682 1.00 0.00 H HETATM 51 H8 UNL 1 4.935 -2.435 -2.866 1.00 0.00 H HETATM 52 H9 UNL 1 3.869 -3.684 -3.535 1.00 0.00 H HETATM 53 H10 UNL 1 2.963 -1.917 2.699 1.00 0.00 H HETATM 54 H11 UNL 1 4.066 -2.045 1.308 1.00 0.00 H HETATM 55 H12 UNL 1 4.318 -0.677 2.395 1.00 0.00 H HETATM 56 H13 UNL 1 4.512 0.506 0.849 1.00 0.00 H HETATM 57 H14 UNL 1 1.663 1.841 -1.504 1.00 0.00 H HETATM 58 H15 UNL 1 2.695 1.668 -4.000 1.00 0.00 H HETATM 59 H16 UNL 1 5.424 -0.142 -1.436 1.00 0.00 H HETATM 60 H17 UNL 1 1.088 1.121 3.625 1.00 0.00 H HETATM 61 H18 UNL 1 2.509 0.196 4.896 1.00 0.00 H HETATM 62 H19 UNL 1 -0.561 1.195 2.432 1.00 0.00 H HETATM 63 H20 UNL 1 -1.699 2.881 1.359 1.00 0.00 H HETATM 64 H21 UNL 1 -0.136 2.973 0.559 1.00 0.00 H HETATM 65 H22 UNL 1 -0.929 1.854 -1.405 1.00 0.00 H HETATM 66 H23 UNL 1 -3.477 5.514 -1.943 1.00 0.00 H HETATM 67 H24 UNL 1 -3.045 5.237 -3.646 1.00 0.00 H HETATM 68 H25 UNL 1 -1.891 6.137 -2.559 1.00 0.00 H HETATM 69 H26 UNL 1 -4.560 0.893 -1.759 1.00 0.00 H HETATM 70 H27 UNL 1 -3.367 2.047 -2.346 1.00 0.00 H HETATM 71 H28 UNL 1 -2.963 0.288 -2.487 1.00 0.00 H HETATM 72 H29 UNL 1 -3.523 1.996 1.438 1.00 0.00 H HETATM 73 H30 UNL 1 -4.854 1.386 0.302 1.00 0.00 H HETATM 74 H31 UNL 1 -3.961 2.853 -0.021 1.00 0.00 H HETATM 75 H32 UNL 1 -1.660 -0.460 -1.038 1.00 0.00 H HETATM 76 H33 UNL 1 -3.903 -0.929 -1.149 1.00 0.00 H HETATM 77 H34 UNL 1 -5.239 -1.299 0.485 1.00 0.00 H HETATM 78 H35 UNL 1 -1.269 -4.849 -0.165 1.00 0.00 H HETATM 79 H36 UNL 1 -2.929 -5.056 -0.780 1.00 0.00 H HETATM 80 H37 UNL 1 -1.624 -4.909 -1.973 1.00 0.00 H HETATM 81 H38 UNL 1 -3.042 -0.088 2.462 1.00 0.00 H HETATM 82 H39 UNL 1 -1.453 -0.257 3.169 1.00 0.00 H HETATM 83 H40 UNL 1 -2.296 -1.691 2.350 1.00 0.00 H CONECT 1 2 2 44 45 CONECT 2 3 23 CONECT 3 4 42 46 CONECT 4 5 47 48 CONECT 5 6 10 49 CONECT 6 7 CONECT 7 8 9 9 CONECT 8 50 51 52 CONECT 10 11 12 23 CONECT 11 53 54 55 CONECT 12 13 18 56 CONECT 13 14 17 17 CONECT 14 15 15 57 CONECT 15 16 58 CONECT 16 17 CONECT 17 59 CONECT 18 19 CONECT 19 20 20 21 CONECT 21 22 23 60 CONECT 22 61 CONECT 23 24 CONECT 24 25 CONECT 25 26 42 62 CONECT 26 27 63 64 CONECT 27 28 32 65 CONECT 28 29 CONECT 29 30 31 31 CONECT 30 66 67 68 CONECT 32 33 34 35 CONECT 33 69 70 71 CONECT 34 72 73 74 CONECT 35 36 42 75 CONECT 36 37 38 76 CONECT 37 77 CONECT 38 39 39 40 CONECT 40 41 CONECT 41 78 79 80 CONECT 42 43 CONECT 43 81 82 83 END