COMPND HMDB0015163 HETATM 1 C1 UNL 1 -0.906 2.751 1.757 1.00 0.00 C HETATM 2 C2 UNL 1 -1.981 1.950 1.103 1.00 0.00 C HETATM 3 C3 UNL 1 -2.012 2.133 -0.414 1.00 0.00 C HETATM 4 C4 UNL 1 -3.132 1.301 -0.945 1.00 0.00 C HETATM 5 C5 UNL 1 -2.978 -0.170 -0.655 1.00 0.00 C HETATM 6 N1 UNL 1 -3.673 -0.826 0.204 1.00 0.00 N HETATM 7 C6 UNL 1 -3.290 -2.184 0.246 1.00 0.00 C HETATM 8 C7 UNL 1 -2.809 -2.643 1.603 1.00 0.00 C HETATM 9 C8 UNL 1 -4.049 -3.182 2.276 1.00 0.00 C HETATM 10 C9 UNL 1 -5.024 -3.558 1.199 1.00 0.00 C HETATM 11 C10 UNL 1 -4.430 -3.115 -0.122 1.00 0.00 C HETATM 12 C11 UNL 1 -2.246 -2.317 -0.789 1.00 0.00 C HETATM 13 O1 UNL 1 -1.626 -3.357 -1.154 1.00 0.00 O HETATM 14 N2 UNL 1 -2.045 -1.019 -1.334 1.00 0.00 N HETATM 15 C12 UNL 1 -1.110 -0.669 -2.376 1.00 0.00 C HETATM 16 C13 UNL 1 0.254 -0.351 -1.913 1.00 0.00 C HETATM 17 C14 UNL 1 0.946 0.691 -2.552 1.00 0.00 C HETATM 18 C15 UNL 1 2.230 1.046 -2.220 1.00 0.00 C HETATM 19 C16 UNL 1 2.910 0.366 -1.210 1.00 0.00 C HETATM 20 C17 UNL 1 4.284 0.745 -0.905 1.00 0.00 C HETATM 21 C18 UNL 1 5.206 0.530 -1.942 1.00 0.00 C HETATM 22 C19 UNL 1 6.528 0.833 -1.795 1.00 0.00 C HETATM 23 C20 UNL 1 6.957 1.357 -0.611 1.00 0.00 C HETATM 24 C21 UNL 1 6.075 1.575 0.411 1.00 0.00 C HETATM 25 C22 UNL 1 4.727 1.267 0.265 1.00 0.00 C HETATM 26 C23 UNL 1 3.806 1.505 1.361 1.00 0.00 C HETATM 27 N3 UNL 1 2.494 1.289 1.386 1.00 0.00 N HETATM 28 N4 UNL 1 2.061 1.640 2.579 1.00 0.00 N HETATM 29 N5 UNL 1 3.073 2.073 3.307 1.00 0.00 N HETATM 30 N6 UNL 1 4.152 1.992 2.562 1.00 0.00 N HETATM 31 C24 UNL 1 2.236 -0.649 -0.585 1.00 0.00 C HETATM 32 C25 UNL 1 0.935 -1.007 -0.923 1.00 0.00 C HETATM 33 H1 UNL 1 -1.364 3.742 2.038 1.00 0.00 H HETATM 34 H2 UNL 1 -0.048 2.862 1.081 1.00 0.00 H HETATM 35 H3 UNL 1 -0.654 2.281 2.739 1.00 0.00 H HETATM 36 H4 UNL 1 -2.998 2.249 1.478 1.00 0.00 H HETATM 37 H5 UNL 1 -1.873 0.854 1.272 1.00 0.00 H HETATM 38 H6 UNL 1 -2.306 3.214 -0.547 1.00 0.00 H HETATM 39 H7 UNL 1 -1.045 1.998 -0.889 1.00 0.00 H HETATM 40 H8 UNL 1 -4.113 1.675 -0.608 1.00 0.00 H HETATM 41 H9 UNL 1 -3.166 1.358 -2.073 1.00 0.00 H HETATM 42 H10 UNL 1 -1.996 -3.385 1.547 1.00 0.00 H HETATM 43 H11 UNL 1 -2.426 -1.777 2.178 1.00 0.00 H HETATM 44 H12 UNL 1 -4.509 -2.349 2.871 1.00 0.00 H HETATM 45 H13 UNL 1 -3.859 -4.049 2.912 1.00 0.00 H HETATM 46 H14 UNL 1 -6.011 -3.081 1.313 1.00 0.00 H HETATM 47 H15 UNL 1 -5.195 -4.650 1.125 1.00 0.00 H HETATM 48 H16 UNL 1 -5.142 -2.530 -0.733 1.00 0.00 H HETATM 49 H17 UNL 1 -4.089 -3.966 -0.745 1.00 0.00 H HETATM 50 H18 UNL 1 -1.082 -1.465 -3.177 1.00 0.00 H HETATM 51 H19 UNL 1 -1.571 0.206 -2.916 1.00 0.00 H HETATM 52 H20 UNL 1 0.428 1.226 -3.340 1.00 0.00 H HETATM 53 H21 UNL 1 2.755 1.855 -2.723 1.00 0.00 H HETATM 54 H22 UNL 1 4.850 0.110 -2.884 1.00 0.00 H HETATM 55 H23 UNL 1 7.181 0.637 -2.645 1.00 0.00 H HETATM 56 H24 UNL 1 8.021 1.585 -0.538 1.00 0.00 H HETATM 57 H25 UNL 1 6.419 1.989 1.346 1.00 0.00 H HETATM 58 H26 UNL 1 3.048 2.425 4.307 1.00 0.00 H HETATM 59 H27 UNL 1 2.731 -1.199 0.196 1.00 0.00 H HETATM 60 H28 UNL 1 0.447 -1.810 -0.399 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 36 37 CONECT 3 4 38 39 CONECT 4 5 40 41 CONECT 5 6 6 14 CONECT 6 7 CONECT 7 8 11 12 CONECT 8 9 42 43 CONECT 9 10 44 45 CONECT 10 11 46 47 CONECT 11 48 49 CONECT 12 13 13 14 CONECT 14 15 CONECT 15 16 50 51 CONECT 16 17 17 32 CONECT 17 18 52 CONECT 18 19 19 53 CONECT 19 20 31 CONECT 20 21 21 25 CONECT 21 22 54 CONECT 22 23 23 55 CONECT 23 24 56 CONECT 24 25 25 57 CONECT 25 26 CONECT 26 27 30 30 CONECT 27 28 28 CONECT 28 29 CONECT 29 30 58 CONECT 31 32 32 59 CONECT 32 60 END