COMPND HMDB0002522 HETATM 1 C1 UNL 1 3.722 -2.144 -0.380 1.00 0.00 C HETATM 2 C2 UNL 1 3.831 -0.668 -0.135 1.00 0.00 C HETATM 3 C3 UNL 1 5.045 -0.268 0.635 1.00 0.00 C HETATM 4 C4 UNL 1 6.286 -0.665 -0.122 1.00 0.00 C HETATM 5 C5 UNL 1 7.501 -0.243 0.663 1.00 0.00 C HETATM 6 O1 UNL 1 8.657 -0.458 0.247 1.00 0.00 O HETATM 7 O2 UNL 1 7.280 0.397 1.869 1.00 0.00 O HETATM 8 C6 UNL 1 2.553 -0.164 0.463 1.00 0.00 C HETATM 9 C7 UNL 1 2.665 1.359 0.738 1.00 0.00 C HETATM 10 C8 UNL 1 1.270 1.921 0.528 1.00 0.00 C HETATM 11 C9 UNL 1 0.462 0.710 0.534 1.00 0.00 C HETATM 12 C10 UNL 1 -0.880 0.674 -0.017 1.00 0.00 C HETATM 13 C11 UNL 1 -1.763 1.850 0.265 1.00 0.00 C HETATM 14 O3 UNL 1 -2.236 2.450 -0.915 1.00 0.00 O HETATM 15 S1 UNL 1 -1.836 4.056 -1.022 1.00 0.00 S HETATM 16 O4 UNL 1 -0.954 4.339 -2.228 1.00 0.00 O HETATM 17 O5 UNL 1 -3.109 4.840 -1.260 1.00 0.00 O HETATM 18 O6 UNL 1 -1.137 4.659 0.372 1.00 0.00 O HETATM 19 C12 UNL 1 -3.011 1.394 0.991 1.00 0.00 C HETATM 20 C13 UNL 1 -3.672 0.328 0.154 1.00 0.00 C HETATM 21 C14 UNL 1 -5.048 0.061 0.688 1.00 0.00 C HETATM 22 C15 UNL 1 -5.660 -1.213 0.203 1.00 0.00 C HETATM 23 O7 UNL 1 -6.822 -1.429 0.975 1.00 0.00 O HETATM 24 C16 UNL 1 -4.777 -2.407 0.372 1.00 0.00 C HETATM 25 C17 UNL 1 -3.465 -1.967 0.933 1.00 0.00 C HETATM 26 C18 UNL 1 -2.826 -0.921 0.043 1.00 0.00 C HETATM 27 C19 UNL 1 -2.785 -1.417 -1.388 1.00 0.00 C HETATM 28 C20 UNL 1 -1.478 -0.617 0.582 1.00 0.00 C HETATM 29 C21 UNL 1 -0.472 -1.729 0.445 1.00 0.00 C HETATM 30 C22 UNL 1 0.589 -1.428 -0.592 1.00 0.00 C HETATM 31 C23 UNL 1 1.343 -0.199 -0.371 1.00 0.00 C HETATM 32 C24 UNL 1 1.646 0.545 -1.674 1.00 0.00 C HETATM 33 H1 UNL 1 3.095 -2.650 0.415 1.00 0.00 H HETATM 34 H2 UNL 1 3.374 -2.365 -1.408 1.00 0.00 H HETATM 35 H3 UNL 1 4.695 -2.693 -0.290 1.00 0.00 H HETATM 36 H4 UNL 1 3.914 -0.154 -1.146 1.00 0.00 H HETATM 37 H5 UNL 1 5.037 -0.700 1.666 1.00 0.00 H HETATM 38 H6 UNL 1 5.064 0.853 0.698 1.00 0.00 H HETATM 39 H7 UNL 1 6.338 -0.132 -1.106 1.00 0.00 H HETATM 40 H8 UNL 1 6.416 -1.758 -0.245 1.00 0.00 H HETATM 41 H9 UNL 1 7.489 1.402 1.893 1.00 0.00 H HETATM 42 H10 UNL 1 2.352 -0.643 1.435 1.00 0.00 H HETATM 43 H11 UNL 1 3.411 1.838 0.108 1.00 0.00 H HETATM 44 H12 UNL 1 2.895 1.499 1.817 1.00 0.00 H HETATM 45 H13 UNL 1 1.221 2.534 -0.371 1.00 0.00 H HETATM 46 H14 UNL 1 0.966 2.583 1.385 1.00 0.00 H HETATM 47 H15 UNL 1 0.568 0.220 1.548 1.00 0.00 H HETATM 48 H16 UNL 1 -0.910 0.502 -1.113 1.00 0.00 H HETATM 49 H17 UNL 1 -1.222 2.632 0.846 1.00 0.00 H HETATM 50 H18 UNL 1 -0.497 5.375 0.217 1.00 0.00 H HETATM 51 H19 UNL 1 -2.855 1.128 2.028 1.00 0.00 H HETATM 52 H20 UNL 1 -3.706 2.271 0.979 1.00 0.00 H HETATM 53 H21 UNL 1 -3.779 0.738 -0.873 1.00 0.00 H HETATM 54 H22 UNL 1 -5.710 0.902 0.344 1.00 0.00 H HETATM 55 H23 UNL 1 -5.089 0.097 1.796 1.00 0.00 H HETATM 56 H24 UNL 1 -6.012 -1.170 -0.848 1.00 0.00 H HETATM 57 H25 UNL 1 -7.197 -2.286 0.642 1.00 0.00 H HETATM 58 H26 UNL 1 -4.595 -2.976 -0.556 1.00 0.00 H HETATM 59 H27 UNL 1 -5.208 -3.152 1.096 1.00 0.00 H HETATM 60 H28 UNL 1 -2.773 -2.800 1.160 1.00 0.00 H HETATM 61 H29 UNL 1 -3.675 -1.455 1.913 1.00 0.00 H HETATM 62 H30 UNL 1 -2.289 -0.686 -2.030 1.00 0.00 H HETATM 63 H31 UNL 1 -2.280 -2.397 -1.420 1.00 0.00 H HETATM 64 H32 UNL 1 -3.823 -1.526 -1.765 1.00 0.00 H HETATM 65 H33 UNL 1 -1.568 -0.410 1.668 1.00 0.00 H HETATM 66 H34 UNL 1 -0.983 -2.662 0.132 1.00 0.00 H HETATM 67 H35 UNL 1 0.063 -1.961 1.389 1.00 0.00 H HETATM 68 H36 UNL 1 -0.012 -1.273 -1.549 1.00 0.00 H HETATM 69 H37 UNL 1 1.120 -2.367 -0.780 1.00 0.00 H HETATM 70 H38 UNL 1 2.492 1.234 -1.589 1.00 0.00 H HETATM 71 H39 UNL 1 0.774 1.023 -2.119 1.00 0.00 H HETATM 72 H40 UNL 1 1.980 -0.262 -2.389 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 8 36 CONECT 3 4 37 38 CONECT 4 5 39 40 CONECT 5 6 6 7 CONECT 7 41 CONECT 8 9 31 42 CONECT 9 10 43 44 CONECT 10 11 45 46 CONECT 11 12 31 47 CONECT 12 13 28 48 CONECT 13 14 19 49 CONECT 14 15 CONECT 15 16 16 17 17 CONECT 15 18 CONECT 18 50 CONECT 19 20 51 52 CONECT 20 21 26 53 CONECT 21 22 54 55 CONECT 22 23 24 56 CONECT 23 57 CONECT 24 25 58 59 CONECT 25 26 60 61 CONECT 26 27 28 CONECT 27 62 63 64 CONECT 28 29 65 CONECT 29 30 66 67 CONECT 30 31 68 69 CONECT 31 32 CONECT 32 70 71 72 END