COMPND HMDB0037510 HETATM 1 C1 UNL 1 4.248 -3.115 -3.627 1.00 0.00 C HETATM 2 C2 UNL 1 4.069 -4.071 -2.502 1.00 0.00 C HETATM 3 O1 UNL 1 3.456 -3.484 -1.345 1.00 0.00 O HETATM 4 C3 UNL 1 2.241 -2.921 -1.339 1.00 0.00 C HETATM 5 O2 UNL 1 1.550 -2.873 -2.379 1.00 0.00 O HETATM 6 C4 UNL 1 1.632 -2.320 -0.113 1.00 0.00 C HETATM 7 C5 UNL 1 2.286 -2.328 1.022 1.00 0.00 C HETATM 8 C6 UNL 1 3.649 -2.960 1.019 1.00 0.00 C HETATM 9 N1 UNL 1 1.762 -1.781 2.220 1.00 0.00 N HETATM 10 C7 UNL 1 0.437 -1.195 2.140 1.00 0.00 C HETATM 11 C8 UNL 1 -0.067 -0.541 3.360 1.00 0.00 C HETATM 12 C9 UNL 1 -0.252 0.800 3.392 1.00 0.00 C HETATM 13 C10 UNL 1 -0.741 1.354 4.563 1.00 0.00 C HETATM 14 C11 UNL 1 -1.040 0.610 5.673 1.00 0.00 C HETATM 15 C12 UNL 1 -0.850 -0.747 5.634 1.00 0.00 C HETATM 16 C13 UNL 1 -0.361 -1.317 4.469 1.00 0.00 C HETATM 17 C14 UNL 1 -0.225 -1.176 1.036 1.00 0.00 C HETATM 18 C15 UNL 1 -1.588 -0.591 0.935 1.00 0.00 C HETATM 19 O3 UNL 1 -2.176 -0.579 -0.201 1.00 0.00 O HETATM 20 O4 UNL 1 -2.228 -0.071 2.030 1.00 0.00 O HETATM 21 C16 UNL 1 -3.520 0.489 1.990 1.00 0.00 C HETATM 22 C17 UNL 1 -3.645 1.652 1.099 1.00 0.00 C HETATM 23 C18 UNL 1 -2.525 2.236 0.571 1.00 0.00 C HETATM 24 C19 UNL 1 -2.659 3.341 -0.276 1.00 0.00 C HETATM 25 C20 UNL 1 -3.908 3.827 -0.569 1.00 0.00 C HETATM 26 C21 UNL 1 -5.020 3.238 -0.038 1.00 0.00 C HETATM 27 C22 UNL 1 -4.892 2.147 0.799 1.00 0.00 C HETATM 28 C23 UNL 1 0.300 -1.724 -0.213 1.00 0.00 C HETATM 29 C24 UNL 1 0.348 -0.610 -1.229 1.00 0.00 C HETATM 30 C25 UNL 1 0.386 0.294 -2.024 1.00 0.00 C HETATM 31 C26 UNL 1 0.422 1.386 -2.954 1.00 0.00 C HETATM 32 C27 UNL 1 -0.224 1.212 -4.158 1.00 0.00 C HETATM 33 C28 UNL 1 -0.197 2.263 -5.066 1.00 0.00 C HETATM 34 C29 UNL 1 0.442 3.452 -4.810 1.00 0.00 C HETATM 35 C30 UNL 1 1.086 3.618 -3.602 1.00 0.00 C HETATM 36 C31 UNL 1 1.062 2.581 -2.700 1.00 0.00 C HETATM 37 H1 UNL 1 3.850 -3.563 -4.556 1.00 0.00 H HETATM 38 H2 UNL 1 3.715 -2.156 -3.382 1.00 0.00 H HETATM 39 H3 UNL 1 5.321 -2.811 -3.775 1.00 0.00 H HETATM 40 H4 UNL 1 3.478 -4.935 -2.835 1.00 0.00 H HETATM 41 H5 UNL 1 5.069 -4.476 -2.172 1.00 0.00 H HETATM 42 H6 UNL 1 4.341 -2.357 0.409 1.00 0.00 H HETATM 43 H7 UNL 1 3.630 -4.029 0.843 1.00 0.00 H HETATM 44 H8 UNL 1 4.038 -2.835 2.080 1.00 0.00 H HETATM 45 H9 UNL 1 2.286 -1.789 3.119 1.00 0.00 H HETATM 46 H10 UNL 1 -0.013 1.395 2.537 1.00 0.00 H HETATM 47 H11 UNL 1 -0.889 2.432 4.585 1.00 0.00 H HETATM 48 H12 UNL 1 -1.422 1.120 6.559 1.00 0.00 H HETATM 49 H13 UNL 1 -1.084 -1.363 6.512 1.00 0.00 H HETATM 50 H14 UNL 1 -0.211 -2.385 4.435 1.00 0.00 H HETATM 51 H15 UNL 1 -4.263 -0.303 1.689 1.00 0.00 H HETATM 52 H16 UNL 1 -3.787 0.751 3.044 1.00 0.00 H HETATM 53 H17 UNL 1 -1.549 1.883 0.783 1.00 0.00 H HETATM 54 H18 UNL 1 -1.780 3.791 -0.684 1.00 0.00 H HETATM 55 H19 UNL 1 -4.030 4.690 -1.230 1.00 0.00 H HETATM 56 H20 UNL 1 -5.998 3.621 -0.270 1.00 0.00 H HETATM 57 H21 UNL 1 -5.745 1.660 1.233 1.00 0.00 H HETATM 58 H22 UNL 1 -0.436 -2.437 -0.693 1.00 0.00 H HETATM 59 H23 UNL 1 -0.746 0.281 -4.404 1.00 0.00 H HETATM 60 H24 UNL 1 -0.690 2.170 -6.022 1.00 0.00 H HETATM 61 H25 UNL 1 0.473 4.273 -5.500 1.00 0.00 H HETATM 62 H26 UNL 1 1.607 4.553 -3.363 1.00 0.00 H HETATM 63 H27 UNL 1 1.576 2.725 -1.749 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 40 41 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 7 28 CONECT 7 8 9 CONECT 8 42 43 44 CONECT 9 10 45 CONECT 10 11 17 17 CONECT 11 12 12 16 CONECT 12 13 46 CONECT 13 14 14 47 CONECT 14 15 48 CONECT 15 16 16 49 CONECT 16 50 CONECT 17 18 28 CONECT 18 19 19 20 CONECT 20 21 CONECT 21 22 51 52 CONECT 22 23 23 27 CONECT 23 24 53 CONECT 24 25 25 54 CONECT 25 26 55 CONECT 26 27 27 56 CONECT 27 57 CONECT 28 29 58 CONECT 29 30 30 30 CONECT 30 31 CONECT 31 32 32 36 CONECT 32 33 59 CONECT 33 34 34 60 CONECT 34 35 61 CONECT 35 36 36 62 CONECT 36 63 END