COMPND HMDB0243587 HETATM 1 C1 UNL 1 9.881 0.450 0.088 1.00 0.00 C HETATM 2 C2 UNL 1 8.837 0.992 0.993 1.00 0.00 C HETATM 3 O1 UNL 1 9.174 1.727 1.966 1.00 0.00 O HETATM 4 N1 UNL 1 7.475 0.673 0.750 1.00 0.00 N HETATM 5 C3 UNL 1 7.111 -0.173 -0.370 1.00 0.00 C HETATM 6 C4 UNL 1 6.090 -1.216 0.047 1.00 0.00 C HETATM 7 N2 UNL 1 5.009 -0.553 0.748 1.00 0.00 N HETATM 8 C5 UNL 1 3.658 -0.558 0.311 1.00 0.00 C HETATM 9 C6 UNL 1 2.598 -0.269 1.137 1.00 0.00 C HETATM 10 C7 UNL 1 1.273 -0.268 0.679 1.00 0.00 C HETATM 11 C8 UNL 1 0.975 -0.560 -0.633 1.00 0.00 C HETATM 12 O2 UNL 1 -0.348 -0.557 -1.082 1.00 0.00 O HETATM 13 C9 UNL 1 -1.376 -0.246 -0.148 1.00 0.00 C HETATM 14 C10 UNL 1 -2.686 -0.323 -0.920 1.00 0.00 C HETATM 15 C11 UNL 1 -2.758 0.723 -1.993 1.00 0.00 C HETATM 16 O3 UNL 1 -4.061 1.168 -1.942 1.00 0.00 O HETATM 17 C12 UNL 1 -4.755 0.321 -1.061 1.00 0.00 C HETATM 18 C13 UNL 1 -5.297 -0.922 -1.628 1.00 0.00 C HETATM 19 N3 UNL 1 -5.888 -1.854 -0.735 1.00 0.00 N HETATM 20 C14 UNL 1 -5.118 -2.804 -0.085 1.00 0.00 C HETATM 21 C15 UNL 1 -5.929 -3.594 0.684 1.00 0.00 C HETATM 22 N4 UNL 1 -7.168 -3.153 0.521 1.00 0.00 N HETATM 23 C16 UNL 1 -7.110 -2.105 -0.340 1.00 0.00 C HETATM 24 C17 UNL 1 -5.761 1.204 -0.463 1.00 0.00 C HETATM 25 C18 UNL 1 -7.086 1.114 -0.741 1.00 0.00 C HETATM 26 C19 UNL 1 -8.013 2.044 -0.228 1.00 0.00 C HETATM 27 C20 UNL 1 -7.607 3.079 0.571 1.00 0.00 C HETATM 28 CL1 UNL 1 -8.756 4.236 1.209 1.00 0.00 CL HETATM 29 C21 UNL 1 -6.261 3.172 0.850 1.00 0.00 C HETATM 30 C22 UNL 1 -5.351 2.270 0.356 1.00 0.00 C HETATM 31 CL2 UNL 1 -3.643 2.374 0.706 1.00 0.00 CL HETATM 32 O4 UNL 1 -3.773 -0.043 -0.116 1.00 0.00 O HETATM 33 C23 UNL 1 2.027 -0.851 -1.471 1.00 0.00 C HETATM 34 C24 UNL 1 3.337 -0.852 -1.019 1.00 0.00 C HETATM 35 C25 UNL 1 5.392 0.154 1.955 1.00 0.00 C HETATM 36 C26 UNL 1 6.469 1.196 1.622 1.00 0.00 C HETATM 37 H1 UNL 1 10.860 0.910 0.336 1.00 0.00 H HETATM 38 H2 UNL 1 9.609 0.575 -0.965 1.00 0.00 H HETATM 39 H3 UNL 1 9.992 -0.646 0.276 1.00 0.00 H HETATM 40 H4 UNL 1 8.027 -0.696 -0.762 1.00 0.00 H HETATM 41 H5 UNL 1 6.696 0.410 -1.218 1.00 0.00 H HETATM 42 H6 UNL 1 6.608 -1.856 0.821 1.00 0.00 H HETATM 43 H7 UNL 1 5.786 -1.818 -0.798 1.00 0.00 H HETATM 44 H8 UNL 1 2.772 -0.039 2.180 1.00 0.00 H HETATM 45 H9 UNL 1 0.446 -0.038 1.339 1.00 0.00 H HETATM 46 H10 UNL 1 -1.172 0.758 0.250 1.00 0.00 H HETATM 47 H11 UNL 1 -1.339 -1.002 0.636 1.00 0.00 H HETATM 48 H12 UNL 1 -2.723 -1.324 -1.405 1.00 0.00 H HETATM 49 H13 UNL 1 -2.483 0.322 -2.997 1.00 0.00 H HETATM 50 H14 UNL 1 -2.099 1.594 -1.724 1.00 0.00 H HETATM 51 H15 UNL 1 -6.055 -0.620 -2.414 1.00 0.00 H HETATM 52 H16 UNL 1 -4.524 -1.499 -2.229 1.00 0.00 H HETATM 53 H17 UNL 1 -4.047 -2.917 -0.162 1.00 0.00 H HETATM 54 H18 UNL 1 -5.658 -4.438 1.327 1.00 0.00 H HETATM 55 H19 UNL 1 -8.053 -1.612 -0.606 1.00 0.00 H HETATM 56 H20 UNL 1 -7.482 0.370 -1.409 1.00 0.00 H HETATM 57 H21 UNL 1 -9.049 1.931 -0.472 1.00 0.00 H HETATM 58 H22 UNL 1 -5.905 3.980 1.478 1.00 0.00 H HETATM 59 H23 UNL 1 1.830 -1.086 -2.515 1.00 0.00 H HETATM 60 H24 UNL 1 4.165 -1.077 -1.681 1.00 0.00 H HETATM 61 H25 UNL 1 4.569 0.740 2.400 1.00 0.00 H HETATM 62 H26 UNL 1 5.837 -0.551 2.686 1.00 0.00 H HETATM 63 H27 UNL 1 5.953 2.093 1.183 1.00 0.00 H HETATM 64 H28 UNL 1 6.878 1.541 2.591 1.00 0.00 H CONECT 1 2 37 38 39 CONECT 2 3 3 4 CONECT 4 5 36 CONECT 5 6 40 41 CONECT 6 7 42 43 CONECT 7 8 35 CONECT 8 9 9 34 CONECT 9 10 44 CONECT 10 11 11 45 CONECT 11 12 33 CONECT 12 13 CONECT 13 14 46 47 CONECT 14 15 32 48 CONECT 15 16 49 50 CONECT 16 17 CONECT 17 18 24 32 CONECT 18 19 51 52 CONECT 19 20 23 CONECT 20 21 21 53 CONECT 21 22 54 CONECT 22 23 23 CONECT 23 55 CONECT 24 25 25 30 CONECT 25 26 56 CONECT 26 27 27 57 CONECT 27 28 29 CONECT 29 30 30 58 CONECT 30 31 CONECT 33 34 34 59 CONECT 34 60 CONECT 35 36 61 62 CONECT 36 63 64 END