COMPND HMDB0033393 HETATM 1 N1 UNL 1 -8.367 1.717 2.844 1.00 0.00 N HETATM 2 C1 UNL 1 -7.602 1.050 1.863 1.00 0.00 C HETATM 3 C2 UNL 1 -6.222 0.970 1.918 1.00 0.00 C HETATM 4 C3 UNL 1 -5.464 0.319 0.961 1.00 0.00 C HETATM 5 C4 UNL 1 -4.097 0.260 1.049 1.00 0.00 C HETATM 6 O1 UNL 1 -3.505 0.886 2.146 1.00 0.00 O HETATM 7 C5 UNL 1 -3.345 -0.390 0.094 1.00 0.00 C HETATM 8 N2 UNL 1 -1.949 -0.438 0.205 1.00 0.00 N HETATM 9 N3 UNL 1 -1.124 0.346 -0.324 1.00 0.00 N HETATM 10 C6 UNL 1 0.267 0.138 -0.098 1.00 0.00 C HETATM 11 C7 UNL 1 0.772 -0.369 1.086 1.00 0.00 C HETATM 12 C8 UNL 1 2.122 -0.562 1.283 1.00 0.00 C HETATM 13 C9 UNL 1 3.012 -0.236 0.254 1.00 0.00 C HETATM 14 N4 UNL 1 4.388 -0.451 0.501 1.00 0.00 N HETATM 15 N5 UNL 1 5.055 0.110 1.396 1.00 0.00 N HETATM 16 C10 UNL 1 6.434 -0.109 1.640 1.00 0.00 C HETATM 17 C11 UNL 1 6.914 -1.144 2.400 1.00 0.00 C HETATM 18 C12 UNL 1 8.264 -1.308 2.603 1.00 0.00 C HETATM 19 C13 UNL 1 9.185 -0.443 2.053 1.00 0.00 C HETATM 20 S1 UNL 1 10.898 -0.657 2.314 1.00 0.00 S HETATM 21 O2 UNL 1 11.600 0.670 2.304 1.00 0.00 O HETATM 22 O3 UNL 1 11.159 -1.273 3.674 1.00 0.00 O HETATM 23 O4 UNL 1 11.588 -1.629 1.136 1.00 0.00 O HETATM 24 C14 UNL 1 8.705 0.597 1.289 1.00 0.00 C HETATM 25 C15 UNL 1 7.346 0.764 1.084 1.00 0.00 C HETATM 26 C16 UNL 1 2.495 0.265 -0.910 1.00 0.00 C HETATM 27 C17 UNL 1 3.360 0.592 -1.933 1.00 0.00 C HETATM 28 C18 UNL 1 2.905 1.104 -3.138 1.00 0.00 C HETATM 29 C19 UNL 1 1.547 1.300 -3.340 1.00 0.00 C HETATM 30 S2 UNL 1 0.955 1.946 -4.855 1.00 0.00 S HETATM 31 O5 UNL 1 1.959 2.911 -5.455 1.00 0.00 O HETATM 32 O6 UNL 1 -0.309 2.727 -4.649 1.00 0.00 O HETATM 33 O7 UNL 1 0.632 0.693 -5.940 1.00 0.00 O HETATM 34 C20 UNL 1 0.688 0.967 -2.302 1.00 0.00 C HETATM 35 C21 UNL 1 1.146 0.460 -1.111 1.00 0.00 C HETATM 36 C22 UNL 1 -4.020 -0.990 -0.972 1.00 0.00 C HETATM 37 S3 UNL 1 -3.113 -1.815 -2.190 1.00 0.00 S HETATM 38 O8 UNL 1 -4.048 -2.400 -3.211 1.00 0.00 O HETATM 39 O9 UNL 1 -2.177 -0.890 -2.939 1.00 0.00 O HETATM 40 O10 UNL 1 -2.230 -3.086 -1.491 1.00 0.00 O HETATM 41 C23 UNL 1 -5.393 -0.921 -1.044 1.00 0.00 C HETATM 42 C24 UNL 1 -6.125 -0.269 -0.083 1.00 0.00 C HETATM 43 C25 UNL 1 -7.486 -0.226 -0.195 1.00 0.00 C HETATM 44 C26 UNL 1 -8.217 0.430 0.773 1.00 0.00 C HETATM 45 S4 UNL 1 -9.959 0.507 0.665 1.00 0.00 S HETATM 46 O11 UNL 1 -10.418 -0.230 -0.550 1.00 0.00 O HETATM 47 O12 UNL 1 -10.391 1.926 0.565 1.00 0.00 O HETATM 48 O13 UNL 1 -10.684 -0.207 2.000 1.00 0.00 O HETATM 49 H1 UNL 1 -8.047 2.601 3.270 1.00 0.00 H HETATM 50 H2 UNL 1 -9.269 1.313 3.144 1.00 0.00 H HETATM 51 H3 UNL 1 -5.721 1.442 2.752 1.00 0.00 H HETATM 52 H4 UNL 1 -2.496 0.857 2.235 1.00 0.00 H HETATM 53 H5 UNL 1 0.067 -0.615 1.867 1.00 0.00 H HETATM 54 H6 UNL 1 2.510 -0.960 2.211 1.00 0.00 H HETATM 55 H7 UNL 1 6.188 -1.819 2.829 1.00 0.00 H HETATM 56 H8 UNL 1 8.650 -2.118 3.198 1.00 0.00 H HETATM 57 H9 UNL 1 12.441 -1.990 1.428 1.00 0.00 H HETATM 58 H10 UNL 1 9.411 1.304 0.836 1.00 0.00 H HETATM 59 H11 UNL 1 6.984 1.598 0.472 1.00 0.00 H HETATM 60 H12 UNL 1 4.416 0.458 -1.822 1.00 0.00 H HETATM 61 H13 UNL 1 3.619 1.352 -3.928 1.00 0.00 H HETATM 62 H14 UNL 1 1.290 0.691 -6.664 1.00 0.00 H HETATM 63 H15 UNL 1 -0.361 1.118 -2.457 1.00 0.00 H HETATM 64 H16 UNL 1 -2.510 -3.951 -1.867 1.00 0.00 H HETATM 65 H17 UNL 1 -5.889 -1.393 -1.878 1.00 0.00 H HETATM 66 H18 UNL 1 -8.008 -0.699 -1.035 1.00 0.00 H HETATM 67 H19 UNL 1 -10.425 -1.179 2.038 1.00 0.00 H CONECT 1 2 49 50 CONECT 2 3 3 44 CONECT 3 4 51 CONECT 4 5 5 42 CONECT 5 6 7 CONECT 6 52 CONECT 7 8 36 36 CONECT 8 9 9 CONECT 9 10 CONECT 10 11 11 35 CONECT 11 12 53 CONECT 12 13 13 54 CONECT 13 14 26 CONECT 14 15 15 CONECT 15 16 CONECT 16 17 17 25 CONECT 17 18 55 CONECT 18 19 19 56 CONECT 19 20 24 CONECT 20 21 21 22 22 CONECT 20 23 CONECT 23 57 CONECT 24 25 25 58 CONECT 25 59 CONECT 26 27 27 35 CONECT 27 28 60 CONECT 28 29 29 61 CONECT 29 30 34 CONECT 30 31 31 32 32 CONECT 30 33 CONECT 33 62 CONECT 34 35 35 63 CONECT 36 37 41 CONECT 37 38 38 39 39 CONECT 37 40 CONECT 40 64 CONECT 41 42 42 65 CONECT 42 43 CONECT 43 44 44 66 CONECT 44 45 CONECT 45 46 46 47 47 CONECT 45 48 CONECT 48 67 END