COMPND HMDB0037419 HETATM 1 C1 UNL 1 -2.271 -2.403 -2.153 1.00 0.00 C HETATM 2 C2 UNL 1 -2.120 -1.248 -1.195 1.00 0.00 C HETATM 3 O1 UNL 1 -1.268 -1.477 -0.158 1.00 0.00 O HETATM 4 C3 UNL 1 -1.001 -0.422 0.721 1.00 0.00 C HETATM 5 C4 UNL 1 0.460 -0.204 0.638 1.00 0.00 C HETATM 6 C5 UNL 1 1.065 0.360 1.756 1.00 0.00 C HETATM 7 O2 UNL 1 0.256 0.837 2.820 1.00 0.00 O HETATM 8 C6 UNL 1 2.424 0.451 1.813 1.00 0.00 C HETATM 9 C7 UNL 1 3.219 -0.012 0.770 1.00 0.00 C HETATM 10 O3 UNL 1 4.541 0.056 0.797 1.00 0.00 O HETATM 11 C8 UNL 1 5.279 -0.400 -0.200 1.00 0.00 C HETATM 12 C9 UNL 1 6.728 -0.292 -0.089 1.00 0.00 C HETATM 13 C10 UNL 1 7.555 -0.826 -1.048 1.00 0.00 C HETATM 14 C11 UNL 1 8.941 -0.755 -0.979 1.00 0.00 C HETATM 15 C12 UNL 1 9.500 -0.112 0.116 1.00 0.00 C HETATM 16 O4 UNL 1 10.879 -0.039 0.189 1.00 0.00 O HETATM 17 C13 UNL 1 8.714 0.438 1.100 1.00 0.00 C HETATM 18 O5 UNL 1 9.366 1.061 2.153 1.00 0.00 O HETATM 19 C14 UNL 1 7.345 0.345 0.991 1.00 0.00 C HETATM 20 C15 UNL 1 4.734 -0.966 -1.316 1.00 0.00 C HETATM 21 C16 UNL 1 3.331 -1.059 -1.397 1.00 0.00 C HETATM 22 O6 UNL 1 2.850 -1.579 -2.429 1.00 0.00 O HETATM 23 C17 UNL 1 2.614 -0.571 -0.335 1.00 0.00 C HETATM 24 C18 UNL 1 1.229 -0.684 -0.436 1.00 0.00 C HETATM 25 O7 UNL 1 0.626 -1.244 -1.516 1.00 0.00 O HETATM 26 C19 UNL 1 -1.777 0.807 0.293 1.00 0.00 C HETATM 27 O8 UNL 1 -3.071 0.732 0.475 1.00 0.00 O HETATM 28 C20 UNL 1 -4.008 1.247 1.186 1.00 0.00 C HETATM 29 O9 UNL 1 -4.723 0.384 2.025 1.00 0.00 O HETATM 30 C21 UNL 1 -5.487 -0.525 1.387 1.00 0.00 C HETATM 31 C22 UNL 1 -6.216 -1.454 2.334 1.00 0.00 C HETATM 32 C23 UNL 1 -6.398 -0.029 0.328 1.00 0.00 C HETATM 33 O10 UNL 1 -7.526 0.651 0.805 1.00 0.00 O HETATM 34 C24 UNL 1 -5.695 0.896 -0.632 1.00 0.00 C HETATM 35 O11 UNL 1 -6.647 1.610 -1.398 1.00 0.00 O HETATM 36 C25 UNL 1 -4.991 1.929 0.208 1.00 0.00 C HETATM 37 O12 UNL 1 -5.901 2.741 0.827 1.00 0.00 O HETATM 38 C26 UNL 1 -1.390 1.146 -1.161 1.00 0.00 C HETATM 39 O13 UNL 1 -1.891 2.377 -1.559 1.00 0.00 O HETATM 40 C27 UNL 1 -1.949 0.004 -1.972 1.00 0.00 C HETATM 41 O14 UNL 1 -2.204 0.160 -3.108 1.00 0.00 O HETATM 42 H1 UNL 1 -3.266 -2.407 -2.644 1.00 0.00 H HETATM 43 H2 UNL 1 -2.213 -3.326 -1.497 1.00 0.00 H HETATM 44 H3 UNL 1 -1.415 -2.508 -2.844 1.00 0.00 H HETATM 45 H4 UNL 1 -3.161 -1.149 -0.751 1.00 0.00 H HETATM 46 H5 UNL 1 -1.243 -0.666 1.751 1.00 0.00 H HETATM 47 H6 UNL 1 0.717 1.236 3.597 1.00 0.00 H HETATM 48 H7 UNL 1 2.937 0.896 2.672 1.00 0.00 H HETATM 49 H8 UNL 1 7.150 -1.335 -1.903 1.00 0.00 H HETATM 50 H9 UNL 1 9.588 -1.180 -1.727 1.00 0.00 H HETATM 51 H10 UNL 1 11.309 0.420 0.971 1.00 0.00 H HETATM 52 H11 UNL 1 8.794 1.470 2.878 1.00 0.00 H HETATM 53 H12 UNL 1 6.720 0.768 1.746 1.00 0.00 H HETATM 54 H13 UNL 1 5.280 -1.355 -2.164 1.00 0.00 H HETATM 55 H14 UNL 1 0.758 -1.652 -2.345 1.00 0.00 H HETATM 56 H15 UNL 1 -1.371 1.626 0.890 1.00 0.00 H HETATM 57 H16 UNL 1 -3.658 2.052 1.852 1.00 0.00 H HETATM 58 H17 UNL 1 -4.771 -1.227 0.859 1.00 0.00 H HETATM 59 H18 UNL 1 -6.874 -2.113 1.726 1.00 0.00 H HETATM 60 H19 UNL 1 -5.463 -2.170 2.771 1.00 0.00 H HETATM 61 H20 UNL 1 -6.715 -0.956 3.173 1.00 0.00 H HETATM 62 H21 UNL 1 -6.793 -0.882 -0.313 1.00 0.00 H HETATM 63 H22 UNL 1 -7.761 0.376 1.722 1.00 0.00 H HETATM 64 H23 UNL 1 -4.973 0.360 -1.291 1.00 0.00 H HETATM 65 H24 UNL 1 -6.398 1.455 -2.344 1.00 0.00 H HETATM 66 H25 UNL 1 -4.422 2.565 -0.505 1.00 0.00 H HETATM 67 H26 UNL 1 -6.160 3.521 0.236 1.00 0.00 H HETATM 68 H27 UNL 1 -0.318 1.167 -1.334 1.00 0.00 H HETATM 69 H28 UNL 1 -1.397 3.080 -1.045 1.00 0.00 H CONECT 1 2 42 43 44 CONECT 2 3 40 45 CONECT 3 4 CONECT 4 5 26 46 CONECT 5 6 6 24 CONECT 6 7 8 CONECT 7 47 CONECT 8 9 9 48 CONECT 9 10 23 CONECT 10 11 CONECT 11 12 20 20 CONECT 12 13 13 19 CONECT 13 14 49 CONECT 14 15 15 50 CONECT 15 16 17 CONECT 16 51 CONECT 17 18 19 19 CONECT 18 52 CONECT 19 53 CONECT 20 21 54 CONECT 21 22 22 23 CONECT 23 24 24 CONECT 24 25 CONECT 25 55 CONECT 26 27 38 56 CONECT 27 28 CONECT 28 29 36 57 CONECT 29 30 CONECT 30 31 32 58 CONECT 31 59 60 61 CONECT 32 33 34 62 CONECT 33 63 CONECT 34 35 36 64 CONECT 35 65 CONECT 36 37 66 CONECT 37 67 CONECT 38 39 40 68 CONECT 39 69 CONECT 40 41 41 END