COMPND HMDB0014374 HETATM 1 C1 UNL 1 -3.453 2.099 -3.058 1.00 0.00 C HETATM 2 N1 UNL 1 -4.562 1.524 -3.752 1.00 0.00 N HETATM 3 C2 UNL 1 -5.748 2.287 -3.512 1.00 0.00 C HETATM 4 C3 UNL 1 -4.732 0.115 -3.510 1.00 0.00 C HETATM 5 C4 UNL 1 -5.156 -0.146 -2.075 1.00 0.00 C HETATM 6 N2 UNL 1 -5.320 -1.558 -1.846 1.00 0.00 N HETATM 7 N3 UNL 1 -6.434 -2.241 -2.019 1.00 0.00 N HETATM 8 N4 UNL 1 -6.212 -3.501 -1.715 1.00 0.00 N HETATM 9 N5 UNL 1 -4.957 -3.624 -1.347 1.00 0.00 N HETATM 10 C5 UNL 1 -4.389 -2.420 -1.423 1.00 0.00 C HETATM 11 S1 UNL 1 -2.670 -2.073 -1.018 1.00 0.00 S HETATM 12 C6 UNL 1 -2.553 -1.624 0.771 1.00 0.00 C HETATM 13 C7 UNL 1 -1.125 -1.355 1.038 1.00 0.00 C HETATM 14 C8 UNL 1 -0.434 -2.038 1.899 1.00 0.00 C HETATM 15 C9 UNL 1 -0.950 -3.130 2.692 1.00 0.00 C HETATM 16 O1 UNL 1 -0.171 -3.731 3.503 1.00 0.00 O HETATM 17 O2 UNL 1 -2.249 -3.570 2.628 1.00 0.00 O HETATM 18 N6 UNL 1 0.964 -1.736 2.148 1.00 0.00 N HETATM 19 C10 UNL 1 2.283 -2.185 2.410 1.00 0.00 C HETATM 20 O3 UNL 1 2.808 -3.307 2.626 1.00 0.00 O HETATM 21 C11 UNL 1 2.860 -0.831 2.339 1.00 0.00 C HETATM 22 N7 UNL 1 3.617 -0.497 1.178 1.00 0.00 N HETATM 23 C12 UNL 1 4.820 0.239 1.315 1.00 0.00 C HETATM 24 O4 UNL 1 5.197 0.584 2.473 1.00 0.00 O HETATM 25 C13 UNL 1 5.642 0.608 0.113 1.00 0.00 C HETATM 26 C14 UNL 1 6.845 1.399 0.610 1.00 0.00 C HETATM 27 C15 UNL 1 8.027 0.778 0.931 1.00 0.00 C HETATM 28 S2 UNL 1 8.988 2.103 1.418 1.00 0.00 S HETATM 29 C16 UNL 1 7.844 3.355 1.188 1.00 0.00 C HETATM 30 N8 UNL 1 7.987 4.758 1.412 1.00 0.00 N HETATM 31 N9 UNL 1 6.787 2.685 0.750 1.00 0.00 N HETATM 32 C17 UNL 1 1.427 -0.362 2.184 1.00 0.00 C HETATM 33 S3 UNL 1 1.041 0.308 0.548 1.00 0.00 S HETATM 34 C18 UNL 1 -0.614 -0.234 0.174 1.00 0.00 C HETATM 35 H1 UNL 1 -2.475 1.701 -3.406 1.00 0.00 H HETATM 36 H2 UNL 1 -3.464 3.198 -3.293 1.00 0.00 H HETATM 37 H3 UNL 1 -3.597 2.008 -1.975 1.00 0.00 H HETATM 38 H4 UNL 1 -5.695 3.211 -4.148 1.00 0.00 H HETATM 39 H5 UNL 1 -6.686 1.722 -3.723 1.00 0.00 H HETATM 40 H6 UNL 1 -5.736 2.663 -2.457 1.00 0.00 H HETATM 41 H7 UNL 1 -3.813 -0.442 -3.772 1.00 0.00 H HETATM 42 H8 UNL 1 -5.527 -0.252 -4.190 1.00 0.00 H HETATM 43 H9 UNL 1 -6.138 0.333 -1.888 1.00 0.00 H HETATM 44 H10 UNL 1 -4.396 0.224 -1.361 1.00 0.00 H HETATM 45 H11 UNL 1 -3.068 -2.341 1.340 1.00 0.00 H HETATM 46 H12 UNL 1 -3.142 -0.652 0.811 1.00 0.00 H HETATM 47 H13 UNL 1 -2.603 -4.311 3.214 1.00 0.00 H HETATM 48 H14 UNL 1 3.327 -0.508 3.296 1.00 0.00 H HETATM 49 H15 UNL 1 3.306 -0.781 0.226 1.00 0.00 H HETATM 50 H16 UNL 1 5.012 1.242 -0.538 1.00 0.00 H HETATM 51 H17 UNL 1 5.982 -0.258 -0.447 1.00 0.00 H HETATM 52 H18 UNL 1 8.260 -0.300 0.876 1.00 0.00 H HETATM 53 H19 UNL 1 8.585 5.299 0.773 1.00 0.00 H HETATM 54 H20 UNL 1 7.488 5.183 2.204 1.00 0.00 H HETATM 55 H21 UNL 1 1.046 0.248 3.013 1.00 0.00 H HETATM 56 H22 UNL 1 -1.308 0.626 0.366 1.00 0.00 H HETATM 57 H23 UNL 1 -0.764 -0.491 -0.905 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 4 CONECT 3 38 39 40 CONECT 4 5 41 42 CONECT 5 6 43 44 CONECT 6 7 10 CONECT 7 8 8 CONECT 8 9 CONECT 9 10 10 CONECT 10 11 CONECT 11 12 CONECT 12 13 45 46 CONECT 13 14 14 34 CONECT 14 15 18 CONECT 15 16 16 17 CONECT 17 47 CONECT 18 19 32 CONECT 19 20 20 21 CONECT 21 22 32 48 CONECT 22 23 49 CONECT 23 24 24 25 CONECT 25 26 50 51 CONECT 26 27 27 31 CONECT 27 28 52 CONECT 28 29 CONECT 29 30 31 31 CONECT 30 53 54 CONECT 32 33 55 CONECT 33 34 CONECT 34 56 57 END