COMPND HMDB0259859 HETATM 1 C1 UNL 1 7.473 -1.345 2.060 1.00 0.00 C HETATM 2 C2 UNL 1 6.614 -0.730 0.963 1.00 0.00 C HETATM 3 O1 UNL 1 5.258 -0.975 1.136 1.00 0.00 O HETATM 4 C3 UNL 1 4.648 -1.394 -0.056 1.00 0.00 C HETATM 5 O2 UNL 1 3.277 -1.521 0.146 1.00 0.00 O HETATM 6 C4 UNL 1 2.276 -0.651 -0.209 1.00 0.00 C HETATM 7 C5 UNL 1 0.986 -1.068 0.104 1.00 0.00 C HETATM 8 C6 UNL 1 -0.116 -0.255 -0.201 1.00 0.00 C HETATM 9 C7 UNL 1 0.046 0.963 -0.817 1.00 0.00 C HETATM 10 C8 UNL 1 -1.115 1.848 -1.046 1.00 0.00 C HETATM 11 C9 UNL 1 -0.958 2.985 -1.781 1.00 0.00 C HETATM 12 C10 UNL 1 -2.003 3.878 -2.022 1.00 0.00 C HETATM 13 O3 UNL 1 -1.813 4.909 -2.701 1.00 0.00 O HETATM 14 C11 UNL 1 -3.234 3.573 -1.486 1.00 0.00 C HETATM 15 C12 UNL 1 -4.318 4.398 -1.630 1.00 0.00 C HETATM 16 O4 UNL 1 -4.242 5.544 -2.342 1.00 0.00 O HETATM 17 C13 UNL 1 -5.518 4.017 -1.016 1.00 0.00 C HETATM 18 C14 UNL 1 -5.639 2.859 -0.293 1.00 0.00 C HETATM 19 O5 UNL 1 -6.844 2.515 0.302 1.00 0.00 O HETATM 20 C15 UNL 1 -4.534 2.013 -0.147 1.00 0.00 C HETATM 21 C16 UNL 1 -4.688 0.781 0.713 1.00 0.00 C HETATM 22 O6 UNL 1 -3.430 0.615 1.308 1.00 0.00 O HETATM 23 C17 UNL 1 -3.275 -0.597 1.922 1.00 0.00 C HETATM 24 C18 UNL 1 -3.970 -0.617 3.284 1.00 0.00 C HETATM 25 O7 UNL 1 -3.849 -1.897 3.848 1.00 0.00 O HETATM 26 C19 UNL 1 -3.581 -1.791 1.083 1.00 0.00 C HETATM 27 O8 UNL 1 -2.533 -2.701 0.956 1.00 0.00 O HETATM 28 C20 UNL 1 -4.122 -1.459 -0.270 1.00 0.00 C HETATM 29 O9 UNL 1 -3.208 -1.226 -1.264 1.00 0.00 O HETATM 30 C21 UNL 1 -5.081 -0.334 -0.170 1.00 0.00 C HETATM 31 O10 UNL 1 -6.368 -0.849 0.251 1.00 0.00 O HETATM 32 C22 UNL 1 -3.352 2.389 -0.740 1.00 0.00 C HETATM 33 O11 UNL 1 -2.303 1.589 -0.559 1.00 0.00 O HETATM 34 C23 UNL 1 1.329 1.330 -1.109 1.00 0.00 C HETATM 35 C24 UNL 1 2.445 0.557 -0.822 1.00 0.00 C HETATM 36 C25 UNL 1 5.277 -2.634 -0.586 1.00 0.00 C HETATM 37 O12 UNL 1 4.544 -3.054 -1.689 1.00 0.00 O HETATM 38 C26 UNL 1 6.679 -2.343 -0.996 1.00 0.00 C HETATM 39 O13 UNL 1 7.549 -3.405 -0.741 1.00 0.00 O HETATM 40 C27 UNL 1 7.159 -1.077 -0.370 1.00 0.00 C HETATM 41 O14 UNL 1 8.557 -1.243 -0.197 1.00 0.00 O HETATM 42 H1 UNL 1 6.862 -1.689 2.911 1.00 0.00 H HETATM 43 H2 UNL 1 8.208 -0.595 2.487 1.00 0.00 H HETATM 44 H3 UNL 1 8.132 -2.146 1.647 1.00 0.00 H HETATM 45 H4 UNL 1 6.746 0.375 1.079 1.00 0.00 H HETATM 46 H5 UNL 1 4.841 -0.554 -0.766 1.00 0.00 H HETATM 47 H6 UNL 1 0.782 -2.002 0.578 1.00 0.00 H HETATM 48 H7 UNL 1 -1.104 -0.589 0.067 1.00 0.00 H HETATM 49 H8 UNL 1 0.000 3.237 -2.215 1.00 0.00 H HETATM 50 H9 UNL 1 -3.629 6.059 -2.849 1.00 0.00 H HETATM 51 H10 UNL 1 -6.365 4.694 -1.148 1.00 0.00 H HETATM 52 H11 UNL 1 -7.086 1.740 0.837 1.00 0.00 H HETATM 53 H12 UNL 1 -5.415 0.960 1.501 1.00 0.00 H HETATM 54 H13 UNL 1 -2.178 -0.652 2.188 1.00 0.00 H HETATM 55 H14 UNL 1 -5.000 -0.243 3.242 1.00 0.00 H HETATM 56 H15 UNL 1 -3.409 0.070 3.996 1.00 0.00 H HETATM 57 H16 UNL 1 -2.934 -2.113 4.134 1.00 0.00 H HETATM 58 H17 UNL 1 -4.404 -2.403 1.582 1.00 0.00 H HETATM 59 H18 UNL 1 -2.549 -3.065 0.032 1.00 0.00 H HETATM 60 H19 UNL 1 -4.733 -2.355 -0.640 1.00 0.00 H HETATM 61 H20 UNL 1 -3.674 -0.805 -2.032 1.00 0.00 H HETATM 62 H21 UNL 1 -5.306 0.014 -1.223 1.00 0.00 H HETATM 63 H22 UNL 1 -6.472 -0.541 1.207 1.00 0.00 H HETATM 64 H23 UNL 1 1.557 2.279 -1.588 1.00 0.00 H HETATM 65 H24 UNL 1 3.444 0.900 -1.067 1.00 0.00 H HETATM 66 H25 UNL 1 5.200 -3.467 0.158 1.00 0.00 H HETATM 67 H26 UNL 1 4.067 -3.919 -1.540 1.00 0.00 H HETATM 68 H27 UNL 1 6.682 -2.193 -2.096 1.00 0.00 H HETATM 69 H28 UNL 1 7.632 -3.974 -1.542 1.00 0.00 H HETATM 70 H29 UNL 1 7.081 -0.200 -1.064 1.00 0.00 H HETATM 71 H30 UNL 1 9.001 -0.421 0.065 1.00 0.00 H CONECT 1 2 42 43 44 CONECT 2 3 40 45 CONECT 3 4 CONECT 4 5 36 46 CONECT 5 6 CONECT 6 7 7 35 CONECT 7 8 47 CONECT 8 9 9 48 CONECT 9 10 34 CONECT 10 11 11 33 CONECT 11 12 49 CONECT 12 13 13 14 CONECT 14 15 15 32 CONECT 15 16 17 CONECT 16 50 CONECT 17 18 18 51 CONECT 18 19 20 CONECT 19 52 CONECT 20 21 32 32 CONECT 21 22 30 53 CONECT 22 23 CONECT 23 24 26 54 CONECT 24 25 55 56 CONECT 25 57 CONECT 26 27 28 58 CONECT 27 59 CONECT 28 29 30 60 CONECT 29 61 CONECT 30 31 62 CONECT 31 63 CONECT 32 33 CONECT 34 35 35 64 CONECT 35 65 CONECT 36 37 38 66 CONECT 37 67 CONECT 38 39 40 68 CONECT 39 69 CONECT 40 41 70 CONECT 41 71 END