COMPND HMDB0033384 HETATM 1 C1 UNL 1 9.721 1.333 -0.097 1.00 0.00 C HETATM 2 C2 UNL 1 8.249 1.360 -0.209 1.00 0.00 C HETATM 3 C3 UNL 1 7.592 2.451 -0.730 1.00 0.00 C HETATM 4 C4 UNL 1 6.248 2.546 -0.863 1.00 0.00 C HETATM 5 C5 UNL 1 5.423 1.481 -0.456 1.00 0.00 C HETATM 6 N1 UNL 1 4.121 1.449 -0.531 1.00 0.00 N HETATM 7 C6 UNL 1 3.455 0.399 -0.120 1.00 0.00 C HETATM 8 C7 UNL 1 1.998 0.148 -0.111 1.00 0.00 C HETATM 9 C8 UNL 1 1.090 1.051 -0.567 1.00 0.00 C HETATM 10 C9 UNL 1 -0.271 0.736 -0.523 1.00 0.00 C HETATM 11 C10 UNL 1 -0.732 -0.466 -0.031 1.00 0.00 C HETATM 12 N2 UNL 1 -2.135 -0.775 0.008 1.00 0.00 N HETATM 13 N3 UNL 1 -2.994 0.142 -0.165 1.00 0.00 N HETATM 14 C11 UNL 1 -4.409 -0.112 -0.136 1.00 0.00 C HETATM 15 C12 UNL 1 -5.223 0.494 0.799 1.00 0.00 C HETATM 16 C13 UNL 1 -6.575 0.285 0.868 1.00 0.00 C HETATM 17 S1 UNL 1 -7.593 1.076 2.076 1.00 0.00 S HETATM 18 O1 UNL 1 -8.334 0.068 2.888 1.00 0.00 O HETATM 19 O2 UNL 1 -8.568 2.011 1.377 1.00 0.00 O HETATM 20 O3 UNL 1 -6.600 2.053 3.029 1.00 0.00 O HETATM 21 C14 UNL 1 -7.133 -0.577 -0.050 1.00 0.00 C HETATM 22 C15 UNL 1 -8.489 -0.808 -0.006 1.00 0.00 C HETATM 23 C16 UNL 1 -9.028 -1.671 -0.931 1.00 0.00 C HETATM 24 C17 UNL 1 -8.269 -2.306 -1.887 1.00 0.00 C HETATM 25 C18 UNL 1 -6.919 -2.075 -1.930 1.00 0.00 C HETATM 26 C19 UNL 1 -6.355 -1.216 -1.016 1.00 0.00 C HETATM 27 C20 UNL 1 -4.987 -0.974 -1.049 1.00 0.00 C HETATM 28 O4 UNL 1 -4.193 -1.592 -1.994 1.00 0.00 O HETATM 29 C21 UNL 1 0.202 -1.369 0.427 1.00 0.00 C HETATM 30 C22 UNL 1 1.555 -1.058 0.384 1.00 0.00 C HETATM 31 S2 UNL 1 4.721 -0.635 0.417 1.00 0.00 S HETATM 32 C23 UNL 1 6.051 0.381 0.066 1.00 0.00 C HETATM 33 C24 UNL 1 7.441 0.316 0.190 1.00 0.00 C HETATM 34 S3 UNL 1 8.115 -1.136 0.868 1.00 0.00 S HETATM 35 O5 UNL 1 9.347 -0.821 1.661 1.00 0.00 O HETATM 36 O6 UNL 1 7.112 -1.727 1.837 1.00 0.00 O HETATM 37 O7 UNL 1 8.459 -2.284 -0.295 1.00 0.00 O HETATM 38 H1 UNL 1 10.132 2.190 -0.670 1.00 0.00 H HETATM 39 H2 UNL 1 10.068 1.494 0.961 1.00 0.00 H HETATM 40 H3 UNL 1 10.168 0.395 -0.484 1.00 0.00 H HETATM 41 H4 UNL 1 8.221 3.292 -1.052 1.00 0.00 H HETATM 42 H5 UNL 1 5.835 3.459 -1.289 1.00 0.00 H HETATM 43 H6 UNL 1 1.446 2.002 -0.956 1.00 0.00 H HETATM 44 H7 UNL 1 -0.968 1.480 -0.895 1.00 0.00 H HETATM 45 H8 UNL 1 -4.782 1.169 1.516 1.00 0.00 H HETATM 46 H9 UNL 1 -5.883 1.516 3.435 1.00 0.00 H HETATM 47 H10 UNL 1 -9.138 -0.341 0.718 1.00 0.00 H HETATM 48 H11 UNL 1 -10.093 -1.859 -0.905 1.00 0.00 H HETATM 49 H12 UNL 1 -8.715 -2.986 -2.610 1.00 0.00 H HETATM 50 H13 UNL 1 -6.272 -2.539 -2.651 1.00 0.00 H HETATM 51 H14 UNL 1 -3.202 -1.419 -2.020 1.00 0.00 H HETATM 52 H15 UNL 1 -0.134 -2.335 0.825 1.00 0.00 H HETATM 53 H16 UNL 1 2.295 -1.770 0.746 1.00 0.00 H HETATM 54 H17 UNL 1 8.930 -1.927 -1.074 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 3 33 CONECT 3 4 41 CONECT 4 5 5 42 CONECT 5 6 32 CONECT 6 7 7 CONECT 7 8 31 CONECT 8 9 9 30 CONECT 9 10 43 CONECT 10 11 11 44 CONECT 11 12 29 CONECT 12 13 13 CONECT 13 14 CONECT 14 15 15 27 CONECT 15 16 45 CONECT 16 17 21 21 CONECT 17 18 18 19 19 CONECT 17 20 CONECT 20 46 CONECT 21 22 26 CONECT 22 23 23 47 CONECT 23 24 48 CONECT 24 25 25 49 CONECT 25 26 50 CONECT 26 27 27 CONECT 27 28 CONECT 28 51 CONECT 29 30 30 52 CONECT 30 53 CONECT 31 32 CONECT 32 33 33 CONECT 33 34 CONECT 34 35 35 36 36 CONECT 34 37 CONECT 37 54 END