COMPND HMDB0258640 HETATM 1 C1 UNL 1 -5.210 -2.813 2.397 1.00 0.00 C HETATM 2 C2 UNL 1 -4.809 -1.760 1.412 1.00 0.00 C HETATM 3 C3 UNL 1 -5.667 -1.514 0.377 1.00 0.00 C HETATM 4 C4 UNL 1 -5.334 -0.551 -0.552 1.00 0.00 C HETATM 5 C5 UNL 1 -4.160 0.190 -0.492 1.00 0.00 C HETATM 6 N1 UNL 1 -3.865 1.185 -1.475 1.00 0.00 N HETATM 7 N2 UNL 1 -2.825 1.977 -1.557 1.00 0.00 N HETATM 8 C6 UNL 1 -2.917 2.783 -2.641 1.00 0.00 C HETATM 9 C7 UNL 1 -4.099 2.445 -3.249 1.00 0.00 C HETATM 10 N3 UNL 1 -4.642 1.468 -2.503 1.00 0.00 N HETATM 11 C8 UNL 1 -3.314 -0.082 0.563 1.00 0.00 C HETATM 12 C9 UNL 1 -2.064 0.642 0.690 1.00 0.00 C HETATM 13 O1 UNL 1 -2.171 1.756 1.322 1.00 0.00 O HETATM 14 N4 UNL 1 -0.806 0.262 0.214 1.00 0.00 N HETATM 15 C10 UNL 1 0.254 1.248 0.506 1.00 0.00 C HETATM 16 C11 UNL 1 1.369 0.617 1.317 1.00 0.00 C HETATM 17 N5 UNL 1 2.274 -0.138 0.492 1.00 0.00 N HETATM 18 C12 UNL 1 3.646 0.195 0.532 1.00 0.00 C HETATM 19 N6 UNL 1 4.643 -0.386 -0.159 1.00 0.00 N HETATM 20 C13 UNL 1 5.819 0.181 0.121 1.00 0.00 C HETATM 21 C14 UNL 1 7.111 -0.032 -0.301 1.00 0.00 C HETATM 22 C15 UNL 1 8.135 0.729 0.177 1.00 0.00 C HETATM 23 CL1 UNL 1 9.760 0.417 -0.393 1.00 0.00 CL HETATM 24 C16 UNL 1 7.875 1.721 1.091 1.00 0.00 C HETATM 25 C17 UNL 1 6.575 1.930 1.511 1.00 0.00 C HETATM 26 C18 UNL 1 5.512 1.175 1.046 1.00 0.00 C HETATM 27 O2 UNL 1 4.232 1.146 1.255 1.00 0.00 O HETATM 28 C19 UNL 1 1.945 -1.227 -0.400 1.00 0.00 C HETATM 29 C20 UNL 1 0.753 -0.884 -1.239 1.00 0.00 C HETATM 30 C21 UNL 1 -0.557 -0.970 -0.467 1.00 0.00 C HETATM 31 C22 UNL 1 -1.598 -1.440 -1.418 1.00 0.00 C HETATM 32 C23 UNL 1 -3.647 -1.049 1.499 1.00 0.00 C HETATM 33 H1 UNL 1 -6.309 -2.720 2.636 1.00 0.00 H HETATM 34 H2 UNL 1 -5.073 -3.783 1.887 1.00 0.00 H HETATM 35 H3 UNL 1 -4.633 -2.764 3.323 1.00 0.00 H HETATM 36 H4 UNL 1 -6.614 -2.062 0.267 1.00 0.00 H HETATM 37 H5 UNL 1 -6.024 -0.355 -1.383 1.00 0.00 H HETATM 38 H6 UNL 1 -2.168 3.508 -2.893 1.00 0.00 H HETATM 39 H7 UNL 1 -4.473 2.907 -4.149 1.00 0.00 H HETATM 40 H8 UNL 1 -0.139 2.082 1.127 1.00 0.00 H HETATM 41 H9 UNL 1 0.702 1.637 -0.429 1.00 0.00 H HETATM 42 H10 UNL 1 1.874 1.340 1.971 1.00 0.00 H HETATM 43 H11 UNL 1 0.885 -0.129 2.011 1.00 0.00 H HETATM 44 H12 UNL 1 7.325 -0.814 -1.023 1.00 0.00 H HETATM 45 H13 UNL 1 8.705 2.301 1.445 1.00 0.00 H HETATM 46 H14 UNL 1 6.373 2.712 2.232 1.00 0.00 H HETATM 47 H15 UNL 1 2.793 -1.422 -1.098 1.00 0.00 H HETATM 48 H16 UNL 1 1.717 -2.110 0.229 1.00 0.00 H HETATM 49 H17 UNL 1 0.905 0.081 -1.722 1.00 0.00 H HETATM 50 H18 UNL 1 0.721 -1.656 -2.061 1.00 0.00 H HETATM 51 H19 UNL 1 -0.389 -1.763 0.302 1.00 0.00 H HETATM 52 H20 UNL 1 -1.936 -0.686 -2.125 1.00 0.00 H HETATM 53 H21 UNL 1 -2.402 -2.034 -0.923 1.00 0.00 H HETATM 54 H22 UNL 1 -1.081 -2.222 -2.066 1.00 0.00 H HETATM 55 H23 UNL 1 -2.975 -1.268 2.342 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 3 32 CONECT 3 4 36 CONECT 4 5 5 37 CONECT 5 6 11 CONECT 6 7 10 CONECT 7 8 8 CONECT 8 9 38 CONECT 9 10 10 39 CONECT 11 12 32 32 CONECT 12 13 13 14 CONECT 14 15 30 CONECT 15 16 40 41 CONECT 16 17 42 43 CONECT 17 18 28 CONECT 18 19 19 27 CONECT 19 20 CONECT 20 21 21 26 CONECT 21 22 44 CONECT 22 23 24 24 CONECT 24 25 45 CONECT 25 26 26 46 CONECT 26 27 CONECT 28 29 47 48 CONECT 29 30 49 50 CONECT 30 31 51 CONECT 31 52 53 54 CONECT 32 55 END