COMPND HMDB0304848 HETATM 1 C1 UNL 1 8.325 -1.254 -1.078 1.00 0.00 C HETATM 2 C2 UNL 1 7.266 -1.435 0.037 1.00 0.00 C HETATM 3 C3 UNL 1 8.036 -1.767 1.318 1.00 0.00 C HETATM 4 O1 UNL 1 6.492 -0.317 0.156 1.00 0.00 O HETATM 5 C4 UNL 1 5.164 -0.060 0.076 1.00 0.00 C HETATM 6 C5 UNL 1 4.689 1.255 0.256 1.00 0.00 C HETATM 7 C6 UNL 1 3.358 1.575 0.185 1.00 0.00 C HETATM 8 C7 UNL 1 2.400 0.614 -0.068 1.00 0.00 C HETATM 9 C8 UNL 1 0.973 0.938 -0.126 1.00 0.00 C HETATM 10 N1 UNL 1 0.214 0.588 -1.176 1.00 0.00 N HETATM 11 N2 UNL 1 -1.043 0.998 -0.970 1.00 0.00 N HETATM 12 C9 UNL 1 -2.183 0.830 -1.884 1.00 0.00 C HETATM 13 C10 UNL 1 -1.793 -0.155 -2.897 1.00 0.00 C HETATM 14 C11 UNL 1 -3.387 0.650 -1.105 1.00 0.00 C HETATM 15 O2 UNL 1 -4.246 1.673 -1.080 1.00 0.00 O HETATM 16 C12 UNL 1 -5.375 1.653 -0.415 1.00 0.00 C HETATM 17 C13 UNL 1 -6.211 2.775 -0.451 1.00 0.00 C HETATM 18 C14 UNL 1 -7.401 2.842 0.209 1.00 0.00 C HETATM 19 C15 UNL 1 -7.782 1.726 0.948 1.00 0.00 C HETATM 20 F1 UNL 1 -8.973 1.781 1.614 1.00 0.00 F HETATM 21 C16 UNL 1 -6.970 0.616 0.991 1.00 0.00 C HETATM 22 C17 UNL 1 -5.771 0.557 0.322 1.00 0.00 C HETATM 23 C18 UNL 1 -4.944 -0.540 0.352 1.00 0.00 C HETATM 24 O3 UNL 1 -5.243 -1.563 0.999 1.00 0.00 O HETATM 25 C19 UNL 1 -3.754 -0.453 -0.380 1.00 0.00 C HETATM 26 C20 UNL 1 -2.861 -1.593 -0.391 1.00 0.00 C HETATM 27 C21 UNL 1 -2.982 -2.540 -1.345 1.00 0.00 C HETATM 28 C22 UNL 1 -2.147 -3.629 -1.355 1.00 0.00 C HETATM 29 C23 UNL 1 -1.165 -3.787 -0.395 1.00 0.00 C HETATM 30 C24 UNL 1 -1.068 -2.798 0.567 1.00 0.00 C HETATM 31 F2 UNL 1 -0.118 -2.902 1.541 1.00 0.00 F HETATM 32 C25 UNL 1 -1.914 -1.701 0.571 1.00 0.00 C HETATM 33 C26 UNL 1 -1.135 1.623 0.215 1.00 0.00 C HETATM 34 N3 UNL 1 -2.136 2.212 0.906 1.00 0.00 N HETATM 35 C27 UNL 1 -1.900 2.756 2.106 1.00 0.00 C HETATM 36 N4 UNL 1 -0.675 2.726 2.639 1.00 0.00 N HETATM 37 C28 UNL 1 0.372 2.141 1.976 1.00 0.00 C HETATM 38 N5 UNL 1 1.647 2.095 2.556 1.00 0.00 N HETATM 39 C29 UNL 1 0.154 1.584 0.756 1.00 0.00 C HETATM 40 C30 UNL 1 2.852 -0.672 -0.246 1.00 0.00 C HETATM 41 C31 UNL 1 4.192 -0.990 -0.174 1.00 0.00 C HETATM 42 F3 UNL 1 4.544 -2.301 -0.366 1.00 0.00 F HETATM 43 H1 UNL 1 8.984 -2.134 -1.069 1.00 0.00 H HETATM 44 H2 UNL 1 7.827 -1.209 -2.063 1.00 0.00 H HETATM 45 H3 UNL 1 8.924 -0.366 -0.848 1.00 0.00 H HETATM 46 H4 UNL 1 6.678 -2.343 -0.179 1.00 0.00 H HETATM 47 H5 UNL 1 7.246 -1.965 2.102 1.00 0.00 H HETATM 48 H6 UNL 1 8.542 -2.721 1.144 1.00 0.00 H HETATM 49 H7 UNL 1 8.643 -0.939 1.681 1.00 0.00 H HETATM 50 H8 UNL 1 5.447 2.014 0.457 1.00 0.00 H HETATM 51 H9 UNL 1 3.018 2.616 0.309 1.00 0.00 H HETATM 52 H10 UNL 1 -2.255 1.832 -2.419 1.00 0.00 H HETATM 53 H11 UNL 1 -2.608 -0.635 -3.476 1.00 0.00 H HETATM 54 H12 UNL 1 -1.006 -0.874 -2.552 1.00 0.00 H HETATM 55 H13 UNL 1 -1.231 0.408 -3.713 1.00 0.00 H HETATM 56 H14 UNL 1 -5.861 3.614 -1.043 1.00 0.00 H HETATM 57 H15 UNL 1 -8.019 3.728 0.157 1.00 0.00 H HETATM 58 H16 UNL 1 -7.275 -0.261 1.574 1.00 0.00 H HETATM 59 H17 UNL 1 -3.741 -2.468 -2.131 1.00 0.00 H HETATM 60 H18 UNL 1 -2.208 -4.415 -2.101 1.00 0.00 H HETATM 61 H19 UNL 1 -0.486 -4.648 -0.382 1.00 0.00 H HETATM 62 H20 UNL 1 -1.790 -0.944 1.368 1.00 0.00 H HETATM 63 H21 UNL 1 -2.696 3.242 2.688 1.00 0.00 H HETATM 64 H22 UNL 1 2.259 2.932 2.564 1.00 0.00 H HETATM 65 H23 UNL 1 1.992 1.220 2.984 1.00 0.00 H HETATM 66 H24 UNL 1 2.113 -1.434 -0.445 1.00 0.00 H CONECT 1 2 43 44 45 CONECT 2 3 4 46 CONECT 3 47 48 49 CONECT 4 5 CONECT 5 6 6 41 CONECT 6 7 50 CONECT 7 8 8 51 CONECT 8 9 40 CONECT 9 10 10 39 CONECT 10 11 CONECT 11 12 33 CONECT 12 13 14 52 CONECT 13 53 54 55 CONECT 14 15 25 25 CONECT 15 16 CONECT 16 17 17 22 CONECT 17 18 56 CONECT 18 19 19 57 CONECT 19 20 21 CONECT 21 22 22 58 CONECT 22 23 CONECT 23 24 24 25 CONECT 25 26 CONECT 26 27 27 32 CONECT 27 28 59 CONECT 28 29 29 60 CONECT 29 30 61 CONECT 30 31 32 32 CONECT 32 62 CONECT 33 34 34 39 CONECT 34 35 CONECT 35 36 36 63 CONECT 36 37 CONECT 37 38 39 39 CONECT 38 64 65 CONECT 40 41 41 66 CONECT 41 42 END