COMPND HMDB0240242 HETATM 1 CL1 UNL 1 -5.650 0.391 4.737 1.00 0.00 CL HETATM 2 C1 UNL 1 -4.791 0.522 3.195 1.00 0.00 C HETATM 3 C2 UNL 1 -4.000 -0.517 2.789 1.00 0.00 C HETATM 4 C3 UNL 1 -3.309 -0.442 1.592 1.00 0.00 C HETATM 5 C4 UNL 1 -3.435 0.692 0.822 1.00 0.00 C HETATM 6 C5 UNL 1 -2.635 0.729 -0.466 1.00 0.00 C HETATM 7 C6 UNL 1 -3.357 0.104 -1.560 1.00 0.00 C HETATM 8 C7 UNL 1 -4.600 -0.456 -1.352 1.00 0.00 C HETATM 9 C8 UNL 1 -5.350 -1.030 -2.368 1.00 0.00 C HETATM 10 C9 UNL 1 -4.812 -1.032 -3.640 1.00 0.00 C HETATM 11 C10 UNL 1 -3.581 -0.479 -3.863 1.00 0.00 C HETATM 12 C11 UNL 1 -2.854 0.086 -2.829 1.00 0.00 C HETATM 13 N1 UNL 1 -1.337 0.365 -0.153 1.00 0.00 N HETATM 14 C12 UNL 1 -0.702 1.181 0.862 1.00 0.00 C HETATM 15 C13 UNL 1 0.156 0.250 1.665 1.00 0.00 C HETATM 16 N2 UNL 1 1.309 -0.149 0.859 1.00 0.00 N HETATM 17 C14 UNL 1 2.148 1.021 0.772 1.00 0.00 C HETATM 18 C15 UNL 1 3.542 0.773 0.386 1.00 0.00 C HETATM 19 C16 UNL 1 4.134 -0.367 0.176 1.00 0.00 C HETATM 20 C17 UNL 1 5.531 -0.534 -0.209 1.00 0.00 C HETATM 21 C18 UNL 1 6.361 0.502 -0.468 1.00 0.00 C HETATM 22 C19 UNL 1 7.704 0.327 -0.803 1.00 0.00 C HETATM 23 C20 UNL 1 8.252 -0.949 -0.883 1.00 0.00 C HETATM 24 C21 UNL 1 7.412 -1.996 -0.622 1.00 0.00 C HETATM 25 C22 UNL 1 6.073 -1.817 -0.289 1.00 0.00 C HETATM 26 C23 UNL 1 0.883 -0.426 -0.511 1.00 0.00 C HETATM 27 C24 UNL 1 -0.609 -0.693 -0.635 1.00 0.00 C HETATM 28 C25 UNL 1 -4.231 1.743 1.225 1.00 0.00 C HETATM 29 C26 UNL 1 -4.900 1.637 2.413 1.00 0.00 C HETATM 30 H1 UNL 1 -3.883 -1.407 3.360 1.00 0.00 H HETATM 31 H2 UNL 1 -2.691 -1.286 1.291 1.00 0.00 H HETATM 32 H3 UNL 1 -2.615 1.874 -0.669 1.00 0.00 H HETATM 33 H4 UNL 1 -5.049 -0.469 -0.363 1.00 0.00 H HETATM 34 H5 UNL 1 -6.330 -1.472 -2.195 1.00 0.00 H HETATM 35 H6 UNL 1 -5.421 -1.485 -4.409 1.00 0.00 H HETATM 36 H7 UNL 1 -3.203 -0.504 -4.881 1.00 0.00 H HETATM 37 H8 UNL 1 -1.895 0.503 -3.105 1.00 0.00 H HETATM 38 H9 UNL 1 -1.574 1.539 1.502 1.00 0.00 H HETATM 39 H10 UNL 1 -0.207 2.073 0.492 1.00 0.00 H HETATM 40 H11 UNL 1 0.438 0.744 2.597 1.00 0.00 H HETATM 41 H12 UNL 1 -0.448 -0.640 1.951 1.00 0.00 H HETATM 42 H13 UNL 1 1.648 1.711 0.026 1.00 0.00 H HETATM 43 H14 UNL 1 2.157 1.524 1.764 1.00 0.00 H HETATM 44 H15 UNL 1 4.154 1.688 0.264 1.00 0.00 H HETATM 45 H16 UNL 1 3.510 -1.258 0.308 1.00 0.00 H HETATM 46 H17 UNL 1 5.995 1.522 -0.421 1.00 0.00 H HETATM 47 H18 UNL 1 8.369 1.145 -1.012 1.00 0.00 H HETATM 48 H19 UNL 1 9.285 -1.125 -1.141 1.00 0.00 H HETATM 49 H20 UNL 1 7.809 -3.019 -0.670 1.00 0.00 H HETATM 50 H21 UNL 1 5.431 -2.661 -0.084 1.00 0.00 H HETATM 51 H22 UNL 1 1.469 -1.276 -0.906 1.00 0.00 H HETATM 52 H23 UNL 1 1.081 0.447 -1.159 1.00 0.00 H HETATM 53 H24 UNL 1 -0.756 -1.006 -1.691 1.00 0.00 H HETATM 54 H25 UNL 1 -0.823 -1.641 -0.055 1.00 0.00 H HETATM 55 H26 UNL 1 -4.276 2.590 0.577 1.00 0.00 H HETATM 56 H27 UNL 1 -5.529 2.454 2.746 1.00 0.00 H CONECT 1 2 CONECT 2 3 3 29 CONECT 3 4 30 CONECT 4 5 5 31 CONECT 5 6 28 CONECT 6 7 13 32 CONECT 7 8 8 12 CONECT 8 9 33 CONECT 9 10 10 34 CONECT 10 11 35 CONECT 11 12 12 36 CONECT 12 37 CONECT 13 14 27 CONECT 14 15 38 39 CONECT 15 16 40 41 CONECT 16 17 26 CONECT 17 18 42 43 CONECT 18 19 19 44 CONECT 19 20 45 CONECT 20 21 21 25 CONECT 21 22 46 CONECT 22 23 23 47 CONECT 23 24 48 CONECT 24 25 25 49 CONECT 25 50 CONECT 26 27 51 52 CONECT 27 53 54 CONECT 28 29 29 55 CONECT 29 56 END