COMPND HMDB0015499 HETATM 1 C1 UNL 1 5.520 1.411 -2.618 1.00 0.00 C HETATM 2 C2 UNL 1 6.293 2.073 -1.782 1.00 0.00 C HETATM 3 C3 UNL 1 5.781 2.773 -0.589 1.00 0.00 C HETATM 4 N1 UNL 1 4.375 2.670 -0.375 1.00 0.00 N HETATM 5 C4 UNL 1 3.710 1.453 -0.077 1.00 0.00 C HETATM 6 N2 UNL 1 4.407 0.321 0.023 1.00 0.00 N HETATM 7 C5 UNL 1 3.836 -0.882 0.304 1.00 0.00 C HETATM 8 N3 UNL 1 4.620 -2.075 0.404 1.00 0.00 N HETATM 9 C6 UNL 1 6.039 -1.956 0.196 1.00 0.00 C HETATM 10 C7 UNL 1 6.779 -3.209 0.316 1.00 0.00 C HETATM 11 C8 UNL 1 7.728 -3.342 1.217 1.00 0.00 C HETATM 12 N4 UNL 1 2.505 -0.887 0.482 1.00 0.00 N HETATM 13 C9 UNL 1 1.777 0.235 0.388 1.00 0.00 C HETATM 14 N5 UNL 1 0.363 0.152 0.592 1.00 0.00 N HETATM 15 C10 UNL 1 -0.217 -1.147 0.845 1.00 0.00 C HETATM 16 C11 UNL 1 -1.547 -1.192 0.136 1.00 0.00 C HETATM 17 N6 UNL 1 -2.369 -0.062 0.438 1.00 0.00 N HETATM 18 C12 UNL 1 -3.742 -0.288 0.570 1.00 0.00 C HETATM 19 C13 UNL 1 -4.589 0.863 0.931 1.00 0.00 C HETATM 20 C14 UNL 1 -5.705 1.179 0.148 1.00 0.00 C HETATM 21 C15 UNL 1 -6.508 2.237 0.494 1.00 0.00 C HETATM 22 C16 UNL 1 -6.258 3.019 1.603 1.00 0.00 C HETATM 23 F1 UNL 1 -7.044 4.057 1.945 1.00 0.00 F HETATM 24 C17 UNL 1 -5.162 2.729 2.393 1.00 0.00 C HETATM 25 C18 UNL 1 -4.366 1.662 2.031 1.00 0.00 C HETATM 26 C19 UNL 1 -4.381 -1.030 -0.558 1.00 0.00 C HETATM 27 C20 UNL 1 -5.284 -2.052 -0.285 1.00 0.00 C HETATM 28 C21 UNL 1 -5.901 -2.764 -1.283 1.00 0.00 C HETATM 29 C22 UNL 1 -5.649 -2.493 -2.610 1.00 0.00 C HETATM 30 F2 UNL 1 -6.253 -3.190 -3.616 1.00 0.00 F HETATM 31 C23 UNL 1 -4.752 -1.478 -2.875 1.00 0.00 C HETATM 32 C24 UNL 1 -4.120 -0.749 -1.883 1.00 0.00 C HETATM 33 C25 UNL 1 -1.836 1.193 0.164 1.00 0.00 C HETATM 34 C26 UNL 1 -0.390 1.382 0.536 1.00 0.00 C HETATM 35 N7 UNL 1 2.380 1.414 0.106 1.00 0.00 N HETATM 36 H1 UNL 1 5.973 0.911 -3.489 1.00 0.00 H HETATM 37 H2 UNL 1 4.455 1.299 -2.553 1.00 0.00 H HETATM 38 H3 UNL 1 7.360 2.124 -1.954 1.00 0.00 H HETATM 39 H4 UNL 1 6.288 2.366 0.337 1.00 0.00 H HETATM 40 H5 UNL 1 6.130 3.830 -0.649 1.00 0.00 H HETATM 41 H6 UNL 1 3.809 3.557 -0.444 1.00 0.00 H HETATM 42 H7 UNL 1 4.150 -2.957 0.617 1.00 0.00 H HETATM 43 H8 UNL 1 6.403 -1.230 0.966 1.00 0.00 H HETATM 44 H9 UNL 1 6.193 -1.553 -0.835 1.00 0.00 H HETATM 45 H10 UNL 1 6.551 -4.037 -0.335 1.00 0.00 H HETATM 46 H11 UNL 1 7.976 -2.529 1.881 1.00 0.00 H HETATM 47 H12 UNL 1 8.272 -4.271 1.302 1.00 0.00 H HETATM 48 H13 UNL 1 0.398 -1.965 0.420 1.00 0.00 H HETATM 49 H14 UNL 1 -0.308 -1.357 1.930 1.00 0.00 H HETATM 50 H15 UNL 1 -1.328 -1.212 -0.962 1.00 0.00 H HETATM 51 H16 UNL 1 -2.120 -2.111 0.444 1.00 0.00 H HETATM 52 H17 UNL 1 -3.863 -1.010 1.459 1.00 0.00 H HETATM 53 H18 UNL 1 -5.922 0.581 -0.726 1.00 0.00 H HETATM 54 H19 UNL 1 -7.377 2.476 -0.123 1.00 0.00 H HETATM 55 H20 UNL 1 -4.940 3.320 3.266 1.00 0.00 H HETATM 56 H21 UNL 1 -3.511 1.460 2.685 1.00 0.00 H HETATM 57 H22 UNL 1 -5.508 -2.294 0.768 1.00 0.00 H HETATM 58 H23 UNL 1 -6.607 -3.563 -1.033 1.00 0.00 H HETATM 59 H24 UNL 1 -4.548 -1.259 -3.926 1.00 0.00 H HETATM 60 H25 UNL 1 -3.423 0.040 -2.148 1.00 0.00 H HETATM 61 H26 UNL 1 -2.405 1.998 0.658 1.00 0.00 H HETATM 62 H27 UNL 1 -1.957 1.424 -0.937 1.00 0.00 H HETATM 63 H28 UNL 1 0.082 2.041 -0.221 1.00 0.00 H HETATM 64 H29 UNL 1 -0.265 1.891 1.513 1.00 0.00 H CONECT 1 2 2 36 37 CONECT 2 3 38 CONECT 3 4 39 40 CONECT 4 5 41 CONECT 5 6 6 35 CONECT 6 7 CONECT 7 8 12 12 CONECT 8 9 42 CONECT 9 10 43 44 CONECT 10 11 11 45 CONECT 11 46 47 CONECT 12 13 CONECT 13 14 35 35 CONECT 14 15 34 CONECT 15 16 48 49 CONECT 16 17 50 51 CONECT 17 18 33 CONECT 18 19 26 52 CONECT 19 20 20 25 CONECT 20 21 53 CONECT 21 22 22 54 CONECT 22 23 24 CONECT 24 25 25 55 CONECT 25 56 CONECT 26 27 27 32 CONECT 27 28 57 CONECT 28 29 29 58 CONECT 29 30 31 CONECT 31 32 32 59 CONECT 32 60 CONECT 33 34 61 62 CONECT 34 63 64 END