COMPND HMDB0015424 HETATM 1 C1 UNL 1 9.382 2.099 -1.945 1.00 0.00 C HETATM 2 C2 UNL 1 8.835 2.713 -0.654 1.00 0.00 C HETATM 3 N1 UNL 1 7.694 1.941 -0.168 1.00 0.00 N HETATM 4 C3 UNL 1 6.353 2.250 -0.618 1.00 0.00 C HETATM 5 C4 UNL 1 5.715 0.921 -1.050 1.00 0.00 C HETATM 6 N2 UNL 1 5.513 0.192 0.202 1.00 0.00 N HETATM 7 C5 UNL 1 4.290 -0.289 0.683 1.00 0.00 C HETATM 8 O1 UNL 1 4.287 -0.849 1.834 1.00 0.00 O HETATM 9 N3 UNL 1 3.087 -0.196 -0.004 1.00 0.00 N HETATM 10 C6 UNL 1 1.813 -0.674 0.518 1.00 0.00 C HETATM 11 C7 UNL 1 0.763 0.295 0.213 1.00 0.00 C HETATM 12 O2 UNL 1 1.035 1.338 -0.490 1.00 0.00 O HETATM 13 N4 UNL 1 -0.584 0.171 0.643 1.00 0.00 N HETATM 14 C8 UNL 1 -1.547 1.141 0.268 1.00 0.00 C HETATM 15 C9 UNL 1 -2.134 1.867 1.432 1.00 0.00 C HETATM 16 O3 UNL 1 -1.604 2.685 2.237 1.00 0.00 O HETATM 17 N5 UNL 1 -3.407 1.323 1.288 1.00 0.00 N HETATM 18 C10 UNL 1 -4.741 1.173 1.786 1.00 0.00 C HETATM 19 C11 UNL 1 -5.524 2.345 2.118 1.00 0.00 C HETATM 20 O4 UNL 1 -4.997 3.502 1.918 1.00 0.00 O HETATM 21 O5 UNL 1 -6.792 2.420 2.636 1.00 0.00 O HETATM 22 C12 UNL 1 -5.185 -0.064 1.959 1.00 0.00 C HETATM 23 C13 UNL 1 -6.536 -0.404 2.454 1.00 0.00 C HETATM 24 S1 UNL 1 -7.429 -1.456 1.259 1.00 0.00 S HETATM 25 C14 UNL 1 -7.728 -0.624 -0.284 1.00 0.00 C HETATM 26 N6 UNL 1 -6.928 -0.601 -1.379 1.00 0.00 N HETATM 27 N7 UNL 1 -7.532 0.111 -2.285 1.00 0.00 N HETATM 28 N8 UNL 1 -8.684 0.545 -1.814 1.00 0.00 N HETATM 29 N9 UNL 1 -8.818 0.096 -0.571 1.00 0.00 N HETATM 30 C15 UNL 1 -9.944 0.346 0.306 1.00 0.00 C HETATM 31 C16 UNL 1 -4.300 -1.235 1.696 1.00 0.00 C HETATM 32 S2 UNL 1 -3.137 -1.087 0.366 1.00 0.00 S HETATM 33 C17 UNL 1 -2.945 0.675 0.059 1.00 0.00 C HETATM 34 C18 UNL 1 1.505 -2.016 -0.101 1.00 0.00 C HETATM 35 C19 UNL 1 1.789 -2.229 -1.442 1.00 0.00 C HETATM 36 C20 UNL 1 1.504 -3.438 -2.038 1.00 0.00 C HETATM 37 C21 UNL 1 0.932 -4.452 -1.315 1.00 0.00 C HETATM 38 O6 UNL 1 0.644 -5.679 -1.941 1.00 0.00 O HETATM 39 C22 UNL 1 0.642 -4.264 0.014 1.00 0.00 C HETATM 40 C23 UNL 1 0.935 -3.037 0.612 1.00 0.00 C HETATM 41 C24 UNL 1 6.737 -0.047 0.940 1.00 0.00 C HETATM 42 O7 UNL 1 6.827 -1.007 1.727 1.00 0.00 O HETATM 43 C25 UNL 1 7.859 0.851 0.754 1.00 0.00 C HETATM 44 O8 UNL 1 8.950 0.709 1.360 1.00 0.00 O HETATM 45 H1 UNL 1 10.483 2.199 -1.923 1.00 0.00 H HETATM 46 H2 UNL 1 9.064 1.032 -2.044 1.00 0.00 H HETATM 47 H3 UNL 1 8.969 2.626 -2.836 1.00 0.00 H HETATM 48 H4 UNL 1 9.637 2.660 0.109 1.00 0.00 H HETATM 49 H5 UNL 1 8.558 3.759 -0.894 1.00 0.00 H HETATM 50 H6 UNL 1 5.762 2.578 0.267 1.00 0.00 H HETATM 51 H7 UNL 1 6.318 3.010 -1.405 1.00 0.00 H HETATM 52 H8 UNL 1 4.760 1.096 -1.547 1.00 0.00 H HETATM 53 H9 UNL 1 6.444 0.381 -1.685 1.00 0.00 H HETATM 54 H10 UNL 1 3.066 0.235 -0.966 1.00 0.00 H HETATM 55 H11 UNL 1 1.904 -0.859 1.594 1.00 0.00 H HETATM 56 H12 UNL 1 -0.837 -0.633 1.238 1.00 0.00 H HETATM 57 H13 UNL 1 -1.203 1.855 -0.535 1.00 0.00 H HETATM 58 H14 UNL 1 -7.577 2.782 2.058 1.00 0.00 H HETATM 59 H15 UNL 1 -7.176 0.419 2.723 1.00 0.00 H HETATM 60 H16 UNL 1 -6.421 -1.021 3.390 1.00 0.00 H HETATM 61 H17 UNL 1 -10.539 1.176 -0.122 1.00 0.00 H HETATM 62 H18 UNL 1 -9.596 0.548 1.321 1.00 0.00 H HETATM 63 H19 UNL 1 -10.611 -0.535 0.360 1.00 0.00 H HETATM 64 H20 UNL 1 -3.835 -1.547 2.671 1.00 0.00 H HETATM 65 H21 UNL 1 -4.979 -2.110 1.446 1.00 0.00 H HETATM 66 H22 UNL 1 -3.370 1.028 -0.881 1.00 0.00 H HETATM 67 H23 UNL 1 2.230 -1.433 -1.995 1.00 0.00 H HETATM 68 H24 UNL 1 1.730 -3.616 -3.099 1.00 0.00 H HETATM 69 H25 UNL 1 -0.281 -5.763 -2.363 1.00 0.00 H HETATM 70 H26 UNL 1 0.191 -5.057 0.589 1.00 0.00 H HETATM 71 H27 UNL 1 0.717 -2.867 1.668 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 3 48 49 CONECT 3 4 43 CONECT 4 5 50 51 CONECT 5 6 52 53 CONECT 6 7 41 CONECT 7 8 8 9 CONECT 9 10 54 CONECT 10 11 34 55 CONECT 11 12 12 13 CONECT 13 14 56 CONECT 14 15 33 57 CONECT 15 16 16 17 CONECT 17 18 33 CONECT 18 19 22 22 CONECT 19 20 20 21 CONECT 21 58 CONECT 22 23 31 CONECT 23 24 59 60 CONECT 24 25 CONECT 25 26 26 29 CONECT 26 27 CONECT 27 28 28 CONECT 28 29 CONECT 29 30 CONECT 30 61 62 63 CONECT 31 32 64 65 CONECT 32 33 CONECT 33 66 CONECT 34 35 35 40 CONECT 35 36 67 CONECT 36 37 37 68 CONECT 37 38 39 CONECT 38 69 CONECT 39 40 40 70 CONECT 40 71 CONECT 41 42 42 43 CONECT 43 44 44 END