COMPND HMDB0246993 HETATM 1 C1 UNL 1 -8.286 0.158 0.148 1.00 0.00 C HETATM 2 C2 UNL 1 -6.896 -0.287 0.023 1.00 0.00 C HETATM 3 C3 UNL 1 -6.542 -1.573 -0.363 1.00 0.00 C HETATM 4 C4 UNL 1 -5.258 -2.006 -0.485 1.00 0.00 C HETATM 5 C5 UNL 1 -4.179 -1.141 -0.216 1.00 0.00 C HETATM 6 N1 UNL 1 -2.911 -1.432 -0.296 1.00 0.00 N HETATM 7 C6 UNL 1 -2.009 -0.519 -0.014 1.00 0.00 C HETATM 8 C7 UNL 1 -0.576 -0.710 -0.062 1.00 0.00 C HETATM 9 C8 UNL 1 0.041 -1.887 -0.413 1.00 0.00 C HETATM 10 C9 UNL 1 1.395 -2.061 -0.456 1.00 0.00 C HETATM 11 C10 UNL 1 2.247 -0.985 -0.126 1.00 0.00 C HETATM 12 N2 UNL 1 3.551 -1.016 -0.126 1.00 0.00 N HETATM 13 C11 UNL 1 4.238 0.057 0.203 1.00 0.00 C HETATM 14 C12 UNL 1 5.709 0.236 0.267 1.00 0.00 C HETATM 15 C13 UNL 1 6.227 1.440 0.635 1.00 0.00 C HETATM 16 C14 UNL 1 7.583 1.614 0.696 1.00 0.00 C HETATM 17 C15 UNL 1 8.429 0.551 0.381 1.00 0.00 C HETATM 18 N3 UNL 1 9.844 0.683 0.430 1.00 0.00 N HETATM 19 C16 UNL 1 7.913 -0.681 0.005 1.00 0.00 C HETATM 20 C17 UNL 1 6.548 -0.807 -0.042 1.00 0.00 C HETATM 21 S1 UNL 1 2.997 1.191 0.537 1.00 0.00 S HETATM 22 C18 UNL 1 1.646 0.193 0.226 1.00 0.00 C HETATM 23 C19 UNL 1 0.253 0.341 0.262 1.00 0.00 C HETATM 24 S2 UNL 1 -2.961 0.833 0.388 1.00 0.00 S HETATM 25 C20 UNL 1 -4.523 0.126 0.164 1.00 0.00 C HETATM 26 C21 UNL 1 -5.836 0.562 0.287 1.00 0.00 C HETATM 27 S3 UNL 1 -6.078 2.213 0.784 1.00 0.00 S HETATM 28 O1 UNL 1 -4.913 2.669 1.612 1.00 0.00 O HETATM 29 O2 UNL 1 -7.322 2.407 1.579 1.00 0.00 O HETATM 30 O3 UNL 1 -6.139 3.164 -0.603 1.00 0.00 O HETATM 31 H1 UNL 1 -8.940 -0.708 -0.099 1.00 0.00 H HETATM 32 H2 UNL 1 -8.518 0.937 -0.605 1.00 0.00 H HETATM 33 H3 UNL 1 -8.547 0.455 1.182 1.00 0.00 H HETATM 34 H4 UNL 1 -7.409 -2.221 -0.565 1.00 0.00 H HETATM 35 H5 UNL 1 -5.101 -3.031 -0.794 1.00 0.00 H HETATM 36 H6 UNL 1 -0.619 -2.713 -0.667 1.00 0.00 H HETATM 37 H7 UNL 1 1.809 -3.030 -0.747 1.00 0.00 H HETATM 38 H8 UNL 1 5.544 2.245 0.873 1.00 0.00 H HETATM 39 H9 UNL 1 8.046 2.531 0.977 1.00 0.00 H HETATM 40 H10 UNL 1 10.342 0.348 1.265 1.00 0.00 H HETATM 41 H11 UNL 1 10.321 1.111 -0.376 1.00 0.00 H HETATM 42 H12 UNL 1 8.595 -1.488 -0.234 1.00 0.00 H HETATM 43 H13 UNL 1 6.099 -1.752 -0.331 1.00 0.00 H HETATM 44 H14 UNL 1 -0.143 1.275 0.541 1.00 0.00 H HETATM 45 H15 UNL 1 -5.671 2.708 -1.328 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 3 26 CONECT 3 4 34 CONECT 4 5 5 35 CONECT 5 6 25 CONECT 6 7 7 CONECT 7 8 24 CONECT 8 9 9 23 CONECT 9 10 36 CONECT 10 11 11 37 CONECT 11 12 22 CONECT 12 13 13 CONECT 13 14 21 CONECT 14 15 15 20 CONECT 15 16 38 CONECT 16 17 17 39 CONECT 17 18 19 CONECT 18 40 41 CONECT 19 20 20 42 CONECT 20 43 CONECT 21 22 CONECT 22 23 23 CONECT 23 44 CONECT 24 25 CONECT 25 26 26 CONECT 26 27 CONECT 27 28 28 29 29 CONECT 27 30 CONECT 30 45 END