COMPND HMDB0251051 HETATM 1 C1 UNL 1 6.733 0.551 -1.823 1.00 0.00 C HETATM 2 C2 UNL 1 6.739 -0.314 -0.587 1.00 0.00 C HETATM 3 C3 UNL 1 7.503 -1.575 -0.849 1.00 0.00 C HETATM 4 C4 UNL 1 7.389 0.408 0.610 1.00 0.00 C HETATM 5 C5 UNL 1 5.335 -0.569 -0.165 1.00 0.00 C HETATM 6 C6 UNL 1 4.630 0.526 0.338 1.00 0.00 C HETATM 7 C7 UNL 1 3.341 0.357 0.810 1.00 0.00 C HETATM 8 C8 UNL 1 2.701 -0.881 0.807 1.00 0.00 C HETATM 9 S1 UNL 1 1.175 -0.935 1.673 1.00 0.00 S HETATM 10 O1 UNL 1 0.559 -2.285 1.360 1.00 0.00 O HETATM 11 O2 UNL 1 1.541 -0.942 3.172 1.00 0.00 O HETATM 12 N1 UNL 1 0.250 0.392 1.249 1.00 0.00 N HETATM 13 C9 UNL 1 -1.039 0.614 0.745 1.00 0.00 C HETATM 14 N2 UNL 1 -1.369 1.959 0.445 1.00 0.00 N HETATM 15 C10 UNL 1 -2.604 2.345 0.163 1.00 0.00 C HETATM 16 C11 UNL 1 -2.866 3.764 -0.151 1.00 0.00 C HETATM 17 N3 UNL 1 -4.045 4.255 -0.432 1.00 0.00 N HETATM 18 C12 UNL 1 -4.211 5.560 -0.732 1.00 0.00 C HETATM 19 C13 UNL 1 -3.117 6.442 -0.750 1.00 0.00 C HETATM 20 C14 UNL 1 -1.908 5.886 -0.449 1.00 0.00 C HETATM 21 N4 UNL 1 -1.780 4.609 -0.159 1.00 0.00 N HETATM 22 N5 UNL 1 -3.582 1.444 0.151 1.00 0.00 N HETATM 23 C15 UNL 1 -3.343 0.134 0.424 1.00 0.00 C HETATM 24 O3 UNL 1 -4.313 -0.850 0.431 1.00 0.00 O HETATM 25 C16 UNL 1 -5.675 -0.578 0.137 1.00 0.00 C HETATM 26 C17 UNL 1 -6.273 0.459 1.056 1.00 0.00 C HETATM 27 O4 UNL 1 -7.623 0.707 0.737 1.00 0.00 O HETATM 28 C18 UNL 1 -2.043 -0.280 0.722 1.00 0.00 C HETATM 29 O5 UNL 1 -1.825 -1.644 0.990 1.00 0.00 O HETATM 30 C19 UNL 1 -2.544 -2.585 0.249 1.00 0.00 C HETATM 31 C20 UNL 1 -3.320 -3.454 1.019 1.00 0.00 C HETATM 32 C21 UNL 1 -4.082 -4.428 0.402 1.00 0.00 C HETATM 33 C22 UNL 1 -4.088 -4.549 -0.982 1.00 0.00 C HETATM 34 C23 UNL 1 -3.314 -3.679 -1.714 1.00 0.00 C HETATM 35 C24 UNL 1 -2.535 -2.688 -1.106 1.00 0.00 C HETATM 36 O6 UNL 1 -1.762 -1.815 -1.871 1.00 0.00 O HETATM 37 C25 UNL 1 3.400 -1.926 0.307 1.00 0.00 C HETATM 38 C26 UNL 1 4.710 -1.787 -0.180 1.00 0.00 C HETATM 39 H1 UNL 1 7.789 0.640 -2.184 1.00 0.00 H HETATM 40 H2 UNL 1 6.248 1.511 -1.681 1.00 0.00 H HETATM 41 H3 UNL 1 6.176 -0.040 -2.594 1.00 0.00 H HETATM 42 H4 UNL 1 8.575 -1.358 -1.125 1.00 0.00 H HETATM 43 H5 UNL 1 7.048 -2.235 -1.608 1.00 0.00 H HETATM 44 H6 UNL 1 7.554 -2.134 0.126 1.00 0.00 H HETATM 45 H7 UNL 1 7.046 -0.175 1.520 1.00 0.00 H HETATM 46 H8 UNL 1 8.476 0.356 0.579 1.00 0.00 H HETATM 47 H9 UNL 1 6.995 1.429 0.715 1.00 0.00 H HETATM 48 H10 UNL 1 5.064 1.531 0.354 1.00 0.00 H HETATM 49 H11 UNL 1 2.807 1.226 1.204 1.00 0.00 H HETATM 50 H12 UNL 1 0.801 1.343 1.418 1.00 0.00 H HETATM 51 H13 UNL 1 -5.191 5.943 -0.944 1.00 0.00 H HETATM 52 H14 UNL 1 -3.252 7.501 -0.979 1.00 0.00 H HETATM 53 H15 UNL 1 -1.027 6.557 -0.453 1.00 0.00 H HETATM 54 H16 UNL 1 -6.247 -1.510 0.258 1.00 0.00 H HETATM 55 H17 UNL 1 -5.789 -0.284 -0.912 1.00 0.00 H HETATM 56 H18 UNL 1 -6.258 0.094 2.100 1.00 0.00 H HETATM 57 H19 UNL 1 -5.797 1.457 0.958 1.00 0.00 H HETATM 58 H20 UNL 1 -8.227 0.433 1.481 1.00 0.00 H HETATM 59 H21 UNL 1 -3.295 -3.334 2.113 1.00 0.00 H HETATM 60 H22 UNL 1 -4.677 -5.100 1.015 1.00 0.00 H HETATM 61 H23 UNL 1 -4.689 -5.313 -1.472 1.00 0.00 H HETATM 62 H24 UNL 1 -3.299 -3.751 -2.797 1.00 0.00 H HETATM 63 H25 UNL 1 -1.741 -1.901 -2.872 1.00 0.00 H HETATM 64 H26 UNL 1 2.921 -2.904 0.301 1.00 0.00 H HETATM 65 H27 UNL 1 5.246 -2.631 -0.570 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 4 5 CONECT 3 42 43 44 CONECT 4 45 46 47 CONECT 5 6 6 38 CONECT 6 7 48 CONECT 7 8 8 49 CONECT 8 9 37 CONECT 9 10 10 11 11 CONECT 9 12 CONECT 12 13 50 CONECT 13 14 14 28 CONECT 14 15 CONECT 15 16 22 22 CONECT 16 17 17 21 CONECT 17 18 CONECT 18 19 19 51 CONECT 19 20 52 CONECT 20 21 21 53 CONECT 22 23 CONECT 23 24 28 28 CONECT 24 25 CONECT 25 26 54 55 CONECT 26 27 56 57 CONECT 27 58 CONECT 28 29 CONECT 29 30 CONECT 30 31 31 35 CONECT 31 32 59 CONECT 32 33 33 60 CONECT 33 34 61 CONECT 34 35 35 62 CONECT 35 36 CONECT 36 63 CONECT 37 38 38 64 CONECT 38 65 END