COMPND HMDB0004220 HETATM 1 N1 UNL 1 -9.531 1.629 1.175 1.00 0.00 N HETATM 2 C1 UNL 1 -8.357 0.893 1.405 1.00 0.00 C HETATM 3 N2 UNL 1 -7.846 0.782 2.639 1.00 0.00 N HETATM 4 C2 UNL 1 -6.713 0.082 2.876 1.00 0.00 C HETATM 5 N3 UNL 1 -6.085 -0.515 1.854 1.00 0.00 N HETATM 6 C3 UNL 1 -6.525 -0.455 0.590 1.00 0.00 C HETATM 7 C4 UNL 1 -7.693 0.269 0.365 1.00 0.00 C HETATM 8 N4 UNL 1 -7.910 0.166 -0.978 1.00 0.00 N HETATM 9 C5 UNL 1 -6.918 -0.582 -1.506 1.00 0.00 C HETATM 10 N5 UNL 1 -6.071 -0.961 -0.548 1.00 0.00 N HETATM 11 C6 UNL 1 -4.885 -1.766 -0.730 1.00 0.00 C HETATM 12 O1 UNL 1 -4.069 -1.692 0.368 1.00 0.00 O HETATM 13 C7 UNL 1 -2.751 -1.731 0.012 1.00 0.00 C HETATM 14 C8 UNL 1 -2.041 -0.430 0.433 1.00 0.00 C HETATM 15 O2 UNL 1 -2.104 -0.209 1.784 1.00 0.00 O HETATM 16 P1 UNL 1 -1.339 1.246 2.154 1.00 0.00 P HETATM 17 O3 UNL 1 -1.265 1.304 3.683 1.00 0.00 O HETATM 18 O4 UNL 1 -2.275 2.538 1.581 1.00 0.00 O HETATM 19 O5 UNL 1 0.255 1.345 1.573 1.00 0.00 O HETATM 20 C9 UNL 1 0.625 1.668 0.296 1.00 0.00 C HETATM 21 O6 UNL 1 -0.264 1.922 -0.560 1.00 0.00 O HETATM 22 C10 UNL 1 2.076 1.728 -0.122 1.00 0.00 C HETATM 23 C11 UNL 1 2.607 0.335 -0.023 1.00 0.00 C HETATM 24 C12 UNL 1 4.062 0.206 -0.432 1.00 0.00 C HETATM 25 C13 UNL 1 4.874 1.102 0.439 1.00 0.00 C HETATM 26 C14 UNL 1 6.335 1.118 0.204 1.00 0.00 C HETATM 27 S1 UNL 1 6.808 1.617 -1.486 1.00 0.00 S HETATM 28 C15 UNL 1 7.980 0.240 -1.814 1.00 0.00 C HETATM 29 C16 UNL 1 7.517 -0.768 -0.822 1.00 0.00 C HETATM 30 N6 UNL 1 8.702 -1.533 -0.409 1.00 0.00 N HETATM 31 C17 UNL 1 9.254 -0.836 0.699 1.00 0.00 C HETATM 32 O7 UNL 1 10.414 -0.934 1.197 1.00 0.00 O HETATM 33 N7 UNL 1 8.288 0.060 1.237 1.00 0.00 N HETATM 34 C18 UNL 1 7.091 -0.125 0.440 1.00 0.00 C HETATM 35 C19 UNL 1 -2.680 -1.747 -1.500 1.00 0.00 C HETATM 36 O8 UNL 1 -2.565 -3.065 -1.931 1.00 0.00 O HETATM 37 C20 UNL 1 -4.054 -1.219 -1.854 1.00 0.00 C HETATM 38 O9 UNL 1 -4.467 -1.701 -3.103 1.00 0.00 O HETATM 39 H1 UNL 1 -10.413 1.124 0.911 1.00 0.00 H HETATM 40 H2 UNL 1 -9.598 2.664 1.250 1.00 0.00 H HETATM 41 H3 UNL 1 -6.369 0.040 3.885 1.00 0.00 H HETATM 42 H4 UNL 1 -6.885 -0.799 -2.566 1.00 0.00 H HETATM 43 H5 UNL 1 -5.138 -2.819 -1.008 1.00 0.00 H HETATM 44 H6 UNL 1 -2.237 -2.576 0.466 1.00 0.00 H HETATM 45 H7 UNL 1 -0.978 -0.582 0.128 1.00 0.00 H HETATM 46 H8 UNL 1 -2.480 0.356 -0.178 1.00 0.00 H HETATM 47 H9 UNL 1 -1.689 3.277 1.255 1.00 0.00 H HETATM 48 H10 UNL 1 2.133 2.080 -1.180 1.00 0.00 H HETATM 49 H11 UNL 1 2.552 2.456 0.575 1.00 0.00 H HETATM 50 H12 UNL 1 1.998 -0.323 -0.664 1.00 0.00 H HETATM 51 H13 UNL 1 2.458 0.004 1.027 1.00 0.00 H HETATM 52 H14 UNL 1 4.336 -0.856 -0.161 1.00 0.00 H HETATM 53 H15 UNL 1 4.210 0.377 -1.498 1.00 0.00 H HETATM 54 H16 UNL 1 4.534 2.179 0.378 1.00 0.00 H HETATM 55 H17 UNL 1 4.698 0.803 1.489 1.00 0.00 H HETATM 56 H18 UNL 1 6.760 1.929 0.864 1.00 0.00 H HETATM 57 H19 UNL 1 8.995 0.625 -1.608 1.00 0.00 H HETATM 58 H20 UNL 1 7.856 -0.156 -2.842 1.00 0.00 H HETATM 59 H21 UNL 1 6.762 -1.444 -1.278 1.00 0.00 H HETATM 60 H22 UNL 1 9.090 -2.401 -0.811 1.00 0.00 H HETATM 61 H23 UNL 1 8.354 0.724 2.017 1.00 0.00 H HETATM 62 H24 UNL 1 6.419 -0.838 0.976 1.00 0.00 H HETATM 63 H25 UNL 1 -1.883 -1.106 -1.892 1.00 0.00 H HETATM 64 H26 UNL 1 -3.124 -3.681 -1.413 1.00 0.00 H HETATM 65 H27 UNL 1 -4.093 -0.127 -1.808 1.00 0.00 H HETATM 66 H28 UNL 1 -4.747 -0.911 -3.633 1.00 0.00 H CONECT 1 2 39 40 CONECT 2 3 3 7 CONECT 3 4 CONECT 4 5 5 41 CONECT 5 6 CONECT 6 7 7 10 CONECT 7 8 CONECT 8 9 9 CONECT 9 10 42 CONECT 10 11 CONECT 11 12 37 43 CONECT 12 13 CONECT 13 14 35 44 CONECT 14 15 45 46 CONECT 15 16 CONECT 16 17 17 18 19 CONECT 18 47 CONECT 19 20 CONECT 20 21 21 22 CONECT 22 23 48 49 CONECT 23 24 50 51 CONECT 24 25 52 53 CONECT 25 26 54 55 CONECT 26 27 34 56 CONECT 27 28 CONECT 28 29 57 58 CONECT 29 30 34 59 CONECT 30 31 60 CONECT 31 32 32 33 CONECT 33 34 61 CONECT 34 62 CONECT 35 36 37 63 CONECT 36 64 CONECT 37 38 65 CONECT 38 66 END