COMPND HMDB0030557 HETATM 1 C1 UNL 1 8.176 1.478 -2.478 1.00 0.00 C HETATM 2 O1 UNL 1 7.788 0.162 -2.148 1.00 0.00 O HETATM 3 C2 UNL 1 6.570 -0.164 -1.606 1.00 0.00 C HETATM 4 C3 UNL 1 5.609 0.779 -1.334 1.00 0.00 C HETATM 5 C4 UNL 1 4.393 0.442 -0.793 1.00 0.00 C HETATM 6 C5 UNL 1 4.111 -0.866 -0.508 1.00 0.00 C HETATM 7 C6 UNL 1 2.834 -1.299 0.061 1.00 0.00 C HETATM 8 C7 UNL 1 1.768 -1.768 -0.829 1.00 0.00 C HETATM 9 C8 UNL 1 2.271 -3.010 -1.635 1.00 0.00 C HETATM 10 O2 UNL 1 3.074 -2.324 -2.573 1.00 0.00 O HETATM 11 C9 UNL 1 2.545 -1.039 -2.844 1.00 0.00 C HETATM 12 O3 UNL 1 2.990 -0.163 -3.615 1.00 0.00 O HETATM 13 C10 UNL 1 1.331 -0.983 -1.991 1.00 0.00 C HETATM 14 O4 UNL 1 0.398 -1.813 -2.693 1.00 0.00 O HETATM 15 C11 UNL 1 0.814 0.377 -1.844 1.00 0.00 C HETATM 16 C12 UNL 1 -0.383 0.528 -1.026 1.00 0.00 C HETATM 17 C13 UNL 1 -1.653 0.390 -1.557 1.00 0.00 C HETATM 18 C14 UNL 1 -2.788 0.539 -0.808 1.00 0.00 C HETATM 19 C15 UNL 1 -2.711 0.844 0.548 1.00 0.00 C HETATM 20 O5 UNL 1 -3.885 0.973 1.211 1.00 0.00 O HETATM 21 C16 UNL 1 -4.242 1.269 2.494 1.00 0.00 C HETATM 22 O6 UNL 1 -5.146 2.359 2.446 1.00 0.00 O HETATM 23 C17 UNL 1 -6.023 2.073 1.411 1.00 0.00 C HETATM 24 C18 UNL 1 -6.886 3.263 1.088 1.00 0.00 C HETATM 25 O7 UNL 1 -7.756 2.909 0.033 1.00 0.00 O HETATM 26 C19 UNL 1 -6.896 0.887 1.651 1.00 0.00 C HETATM 27 O8 UNL 1 -8.063 1.255 2.353 1.00 0.00 O HETATM 28 C20 UNL 1 -6.201 -0.278 2.293 1.00 0.00 C HETATM 29 O9 UNL 1 -7.138 -0.930 3.093 1.00 0.00 O HETATM 30 C21 UNL 1 -5.037 0.150 3.160 1.00 0.00 C HETATM 31 O10 UNL 1 -4.180 -0.926 3.315 1.00 0.00 O HETATM 32 C22 UNL 1 -1.462 0.983 1.084 1.00 0.00 C HETATM 33 O11 UNL 1 -1.329 1.284 2.424 1.00 0.00 O HETATM 34 C23 UNL 1 -0.057 1.430 3.003 1.00 0.00 C HETATM 35 C24 UNL 1 -0.317 0.828 0.308 1.00 0.00 C HETATM 36 C25 UNL 1 5.091 -1.812 -0.786 1.00 0.00 C HETATM 37 C26 UNL 1 6.313 -1.513 -1.326 1.00 0.00 C HETATM 38 O12 UNL 1 7.280 -2.453 -1.600 1.00 0.00 O HETATM 39 C27 UNL 1 7.270 -3.815 -1.420 1.00 0.00 C HETATM 40 H1 UNL 1 9.249 1.494 -2.754 1.00 0.00 H HETATM 41 H2 UNL 1 7.583 1.906 -3.298 1.00 0.00 H HETATM 42 H3 UNL 1 8.090 2.091 -1.550 1.00 0.00 H HETATM 43 H4 UNL 1 5.790 1.844 -1.547 1.00 0.00 H HETATM 44 H5 UNL 1 3.677 1.249 -0.588 1.00 0.00 H HETATM 45 H6 UNL 1 2.405 -0.560 0.777 1.00 0.00 H HETATM 46 H7 UNL 1 3.091 -2.173 0.741 1.00 0.00 H HETATM 47 H8 UNL 1 0.927 -2.139 -0.187 1.00 0.00 H HETATM 48 H9 UNL 1 1.419 -3.434 -2.168 1.00 0.00 H HETATM 49 H10 UNL 1 2.754 -3.737 -1.015 1.00 0.00 H HETATM 50 H11 UNL 1 0.261 -1.336 -3.551 1.00 0.00 H HETATM 51 H12 UNL 1 1.591 1.078 -1.549 1.00 0.00 H HETATM 52 H13 UNL 1 0.525 0.726 -2.896 1.00 0.00 H HETATM 53 H14 UNL 1 -1.761 0.154 -2.606 1.00 0.00 H HETATM 54 H15 UNL 1 -3.761 0.423 -1.262 1.00 0.00 H HETATM 55 H16 UNL 1 -3.433 1.502 3.200 1.00 0.00 H HETATM 56 H17 UNL 1 -5.423 1.855 0.479 1.00 0.00 H HETATM 57 H18 UNL 1 -6.287 4.117 0.708 1.00 0.00 H HETATM 58 H19 UNL 1 -7.462 3.594 1.957 1.00 0.00 H HETATM 59 H20 UNL 1 -8.042 3.737 -0.416 1.00 0.00 H HETATM 60 H21 UNL 1 -7.265 0.535 0.644 1.00 0.00 H HETATM 61 H22 UNL 1 -8.618 0.480 2.553 1.00 0.00 H HETATM 62 H23 UNL 1 -5.868 -0.999 1.515 1.00 0.00 H HETATM 63 H24 UNL 1 -6.673 -1.427 3.796 1.00 0.00 H HETATM 64 H25 UNL 1 -5.444 0.535 4.099 1.00 0.00 H HETATM 65 H26 UNL 1 -4.093 -1.450 2.503 1.00 0.00 H HETATM 66 H27 UNL 1 0.516 2.187 2.455 1.00 0.00 H HETATM 67 H28 UNL 1 -0.146 1.668 4.096 1.00 0.00 H HETATM 68 H29 UNL 1 0.519 0.465 2.898 1.00 0.00 H HETATM 69 H30 UNL 1 0.623 0.965 0.822 1.00 0.00 H HETATM 70 H31 UNL 1 4.898 -2.878 -0.561 1.00 0.00 H HETATM 71 H32 UNL 1 6.274 -4.173 -1.131 1.00 0.00 H HETATM 72 H33 UNL 1 8.021 -4.059 -0.613 1.00 0.00 H HETATM 73 H34 UNL 1 7.592 -4.285 -2.387 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 CONECT 3 4 4 37 CONECT 4 5 43 CONECT 5 6 6 44 CONECT 6 7 36 CONECT 7 8 45 46 CONECT 8 9 13 47 CONECT 9 10 48 49 CONECT 10 11 CONECT 11 12 12 13 CONECT 13 14 15 CONECT 14 50 CONECT 15 16 51 52 CONECT 16 17 17 35 CONECT 17 18 53 CONECT 18 19 19 54 CONECT 19 20 32 CONECT 20 21 CONECT 21 22 30 55 CONECT 22 23 CONECT 23 24 26 56 CONECT 24 25 57 58 CONECT 25 59 CONECT 26 27 28 60 CONECT 27 61 CONECT 28 29 30 62 CONECT 29 63 CONECT 30 31 64 CONECT 31 65 CONECT 32 33 35 35 CONECT 33 34 CONECT 34 66 67 68 CONECT 35 69 CONECT 36 37 37 70 CONECT 37 38 CONECT 38 39 CONECT 39 71 72 73 END