COMPND HMDB0060619 HETATM 1 C1 UNL 1 -4.333 0.602 1.576 1.00 0.00 C HETATM 2 C2 UNL 1 -3.612 -0.378 0.675 1.00 0.00 C HETATM 3 C3 UNL 1 -2.972 -1.422 1.581 1.00 0.00 C HETATM 4 C4 UNL 1 -4.626 -1.087 -0.172 1.00 0.00 C HETATM 5 C5 UNL 1 -5.550 -0.144 -0.907 1.00 0.00 C HETATM 6 S1 UNL 1 -4.748 1.443 -1.255 1.00 0.00 S HETATM 7 C6 UNL 1 -2.984 1.196 -1.091 1.00 0.00 C HETATM 8 C7 UNL 1 -2.059 1.853 -1.869 1.00 0.00 C HETATM 9 C8 UNL 1 -0.729 1.589 -1.660 1.00 0.00 C HETATM 10 C9 UNL 1 -0.306 0.678 -0.685 1.00 0.00 C HETATM 11 C10 UNL 1 1.086 0.401 -0.466 1.00 0.00 C HETATM 12 C11 UNL 1 2.252 0.149 -0.280 1.00 0.00 C HETATM 13 C12 UNL 1 3.640 -0.168 -0.062 1.00 0.00 C HETATM 14 C13 UNL 1 4.558 -0.151 -1.105 1.00 0.00 C HETATM 15 C14 UNL 1 5.887 -0.451 -0.913 1.00 0.00 C HETATM 16 C15 UNL 1 6.307 -0.777 0.355 1.00 0.00 C HETATM 17 C16 UNL 1 7.684 -1.098 0.606 1.00 0.00 C HETATM 18 O1 UNL 1 8.077 -1.397 1.765 1.00 0.00 O HETATM 19 O2 UNL 1 8.666 -1.104 -0.383 1.00 0.00 O HETATM 20 C17 UNL 1 5.404 -0.798 1.409 1.00 0.00 C HETATM 21 N1 UNL 1 4.114 -0.494 1.156 1.00 0.00 N HETATM 22 C18 UNL 1 -1.245 0.032 0.081 1.00 0.00 C HETATM 23 C19 UNL 1 -2.565 0.299 -0.132 1.00 0.00 C HETATM 24 H1 UNL 1 -4.418 0.218 2.617 1.00 0.00 H HETATM 25 H2 UNL 1 -5.386 0.737 1.226 1.00 0.00 H HETATM 26 H3 UNL 1 -3.834 1.598 1.583 1.00 0.00 H HETATM 27 H4 UNL 1 -2.330 -0.950 2.354 1.00 0.00 H HETATM 28 H5 UNL 1 -3.818 -1.893 2.141 1.00 0.00 H HETATM 29 H6 UNL 1 -2.467 -2.194 0.997 1.00 0.00 H HETATM 30 H7 UNL 1 -5.255 -1.700 0.508 1.00 0.00 H HETATM 31 H8 UNL 1 -4.145 -1.809 -0.869 1.00 0.00 H HETATM 32 H9 UNL 1 -6.487 0.034 -0.341 1.00 0.00 H HETATM 33 H10 UNL 1 -5.770 -0.623 -1.895 1.00 0.00 H HETATM 34 H11 UNL 1 -2.382 2.544 -2.607 1.00 0.00 H HETATM 35 H12 UNL 1 0.012 2.101 -2.266 1.00 0.00 H HETATM 36 H13 UNL 1 4.218 0.106 -2.098 1.00 0.00 H HETATM 37 H14 UNL 1 6.609 -0.444 -1.704 1.00 0.00 H HETATM 38 H15 UNL 1 8.710 -0.409 -1.114 1.00 0.00 H HETATM 39 H16 UNL 1 5.708 -1.050 2.414 1.00 0.00 H HETATM 40 H17 UNL 1 -0.910 -0.668 0.829 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 4 23 CONECT 3 27 28 29 CONECT 4 5 30 31 CONECT 5 6 32 33 CONECT 6 7 CONECT 7 8 8 23 CONECT 8 9 34 CONECT 9 10 10 35 CONECT 10 11 22 CONECT 11 12 12 12 CONECT 12 13 CONECT 13 14 14 21 CONECT 14 15 36 CONECT 15 16 16 37 CONECT 16 17 20 CONECT 17 18 18 19 CONECT 19 38 CONECT 20 21 21 39 CONECT 22 23 23 40 END