COMPND HMDB0059628 HETATM 1 N1 UNL 1 9.340 -3.082 -2.032 1.00 0.00 N HETATM 2 C1 UNL 1 8.908 -2.092 -1.131 1.00 0.00 C HETATM 3 N2 UNL 1 7.660 -1.613 -1.177 1.00 0.00 N HETATM 4 C2 UNL 1 7.194 -0.696 -0.340 1.00 0.00 C HETATM 5 C3 UNL 1 8.004 -0.176 0.642 1.00 0.00 C HETATM 6 C4 UNL 1 9.309 -0.649 0.716 1.00 0.00 C HETATM 7 O1 UNL 1 10.082 -0.222 1.582 1.00 0.00 O HETATM 8 N3 UNL 1 9.707 -1.600 -0.184 1.00 0.00 N HETATM 9 N4 UNL 1 7.492 0.850 1.532 1.00 0.00 N HETATM 10 C5 UNL 1 6.104 1.239 1.604 1.00 0.00 C HETATM 11 C6 UNL 1 5.755 2.475 0.890 1.00 0.00 C HETATM 12 S1 UNL 1 6.811 3.934 0.808 1.00 0.00 S HETATM 13 C7 UNL 1 4.503 2.541 0.357 1.00 0.00 C HETATM 14 S2 UNL 1 4.071 4.042 -0.511 1.00 0.00 S HETATM 15 C8 UNL 1 3.530 1.502 0.566 1.00 0.00 C HETATM 16 C9 UNL 1 2.596 1.328 -0.662 1.00 0.00 C HETATM 17 O2 UNL 1 1.955 0.095 -0.268 1.00 0.00 O HETATM 18 P1 UNL 1 0.762 0.539 0.839 1.00 0.00 P HETATM 19 O3 UNL 1 1.270 0.114 2.249 1.00 0.00 O HETATM 20 O4 UNL 1 0.552 2.194 0.950 1.00 0.00 O HETATM 21 O5 UNL 1 -0.600 -0.340 0.515 1.00 0.00 O HETATM 22 P2 UNL 1 -1.063 -0.227 -1.114 1.00 0.00 P HETATM 23 O6 UNL 1 -2.063 0.978 -1.175 1.00 0.00 O HETATM 24 O7 UNL 1 0.181 0.055 -2.113 1.00 0.00 O HETATM 25 O8 UNL 1 -1.950 -1.637 -1.480 1.00 0.00 O HETATM 26 C10 UNL 1 -3.055 -1.151 -2.299 1.00 0.00 C HETATM 27 C11 UNL 1 -4.201 -1.443 -1.432 1.00 0.00 C HETATM 28 O9 UNL 1 -5.465 -0.953 -1.845 1.00 0.00 O HETATM 29 C12 UNL 1 -6.076 -1.107 -0.648 1.00 0.00 C HETATM 30 N5 UNL 1 -7.339 -0.638 -0.263 1.00 0.00 N HETATM 31 C13 UNL 1 -8.446 -1.431 -0.077 1.00 0.00 C HETATM 32 N6 UNL 1 -9.377 -0.697 0.514 1.00 0.00 N HETATM 33 C14 UNL 1 -8.931 0.551 0.729 1.00 0.00 C HETATM 34 C15 UNL 1 -9.494 1.664 1.310 1.00 0.00 C HETATM 35 N7 UNL 1 -10.722 1.612 2.002 1.00 0.00 N HETATM 36 N8 UNL 1 -8.756 2.786 1.356 1.00 0.00 N HETATM 37 C16 UNL 1 -7.500 2.853 0.858 1.00 0.00 C HETATM 38 N9 UNL 1 -6.982 1.756 0.311 1.00 0.00 N HETATM 39 C17 UNL 1 -7.652 0.569 0.221 1.00 0.00 C HETATM 40 C18 UNL 1 -5.942 -2.639 -0.466 1.00 0.00 C HETATM 41 O10 UNL 1 -6.083 -2.916 0.879 1.00 0.00 O HETATM 42 C19 UNL 1 -4.474 -2.803 -0.937 1.00 0.00 C HETATM 43 O11 UNL 1 -3.684 -3.039 0.212 1.00 0.00 O HETATM 44 O12 UNL 1 3.999 0.285 0.924 1.00 0.00 O HETATM 45 C20 UNL 1 5.322 0.108 0.958 1.00 0.00 C HETATM 46 N10 UNL 1 5.872 -0.213 -0.361 1.00 0.00 N HETATM 47 H1 UNL 1 8.789 -3.978 -2.191 1.00 0.00 H HETATM 48 H2 UNL 1 10.205 -3.013 -2.599 1.00 0.00 H HETATM 49 H3 UNL 1 10.720 -1.893 -0.055 1.00 0.00 H HETATM 50 H4 UNL 1 8.155 1.341 2.156 1.00 0.00 H HETATM 51 H5 UNL 1 5.761 1.310 2.653 1.00 0.00 H HETATM 52 H6 UNL 1 6.252 4.954 1.640 1.00 0.00 H HETATM 53 H7 UNL 1 4.523 3.988 -1.851 1.00 0.00 H HETATM 54 H8 UNL 1 2.834 1.838 1.399 1.00 0.00 H HETATM 55 H9 UNL 1 1.885 2.141 -0.647 1.00 0.00 H HETATM 56 H10 UNL 1 3.167 1.141 -1.570 1.00 0.00 H HETATM 57 H11 UNL 1 -0.021 2.517 0.237 1.00 0.00 H HETATM 58 H12 UNL 1 -0.030 0.869 -2.694 1.00 0.00 H HETATM 59 H13 UNL 1 -3.083 -1.824 -3.197 1.00 0.00 H HETATM 60 H14 UNL 1 -2.877 -0.117 -2.483 1.00 0.00 H HETATM 61 H15 UNL 1 -4.001 -0.778 -0.462 1.00 0.00 H HETATM 62 H16 UNL 1 -5.289 -0.746 0.139 1.00 0.00 H HETATM 63 H17 UNL 1 -8.500 -2.461 -0.386 1.00 0.00 H HETATM 64 H18 UNL 1 -11.635 1.649 1.608 1.00 0.00 H HETATM 65 H19 UNL 1 -10.610 1.508 3.070 1.00 0.00 H HETATM 66 H20 UNL 1 -6.899 3.761 0.895 1.00 0.00 H HETATM 67 H21 UNL 1 -6.567 -3.194 -1.151 1.00 0.00 H HETATM 68 H22 UNL 1 -6.164 -3.919 0.934 1.00 0.00 H HETATM 69 H23 UNL 1 -4.369 -3.608 -1.649 1.00 0.00 H HETATM 70 H24 UNL 1 -4.218 -3.319 0.989 1.00 0.00 H HETATM 71 H25 UNL 1 5.524 -0.779 1.641 1.00 0.00 H HETATM 72 H26 UNL 1 5.324 -0.098 -1.206 1.00 0.00 H CONECT 1 2 47 48 CONECT 2 3 3 8 CONECT 3 4 CONECT 4 5 5 46 CONECT 5 6 9 CONECT 6 7 7 8 CONECT 8 49 CONECT 9 10 50 CONECT 10 11 45 51 CONECT 11 12 13 13 CONECT 12 52 CONECT 13 14 15 CONECT 14 53 CONECT 15 16 44 54 CONECT 16 17 55 56 CONECT 17 18 CONECT 18 19 19 20 21 CONECT 20 57 CONECT 21 22 CONECT 22 23 23 24 25 CONECT 24 58 CONECT 25 26 CONECT 26 27 59 60 CONECT 27 28 42 61 CONECT 28 29 CONECT 29 30 40 62 CONECT 30 31 39 CONECT 31 32 32 63 CONECT 32 33 CONECT 33 34 34 39 CONECT 34 35 36 CONECT 35 64 65 CONECT 36 37 37 CONECT 37 38 66 CONECT 38 39 39 CONECT 40 41 42 67 CONECT 41 68 CONECT 42 43 69 CONECT 43 70 CONECT 44 45 CONECT 45 46 71 CONECT 46 72 END