COMPND HMDB0034585 HETATM 1 C1 UNL 1 -4.784 4.337 2.502 1.00 0.00 C HETATM 2 O1 UNL 1 -4.760 2.984 2.078 1.00 0.00 O HETATM 3 C2 UNL 1 -5.741 2.467 1.249 1.00 0.00 C HETATM 4 O2 UNL 1 -6.656 3.285 0.899 1.00 0.00 O HETATM 5 C3 UNL 1 -5.747 1.085 0.796 1.00 0.00 C HETATM 6 C4 UNL 1 -6.716 0.666 0.007 1.00 0.00 C HETATM 7 C5 UNL 1 -6.820 -0.698 -0.506 1.00 0.00 C HETATM 8 C6 UNL 1 -6.485 -1.764 0.276 1.00 0.00 C HETATM 9 C7 UNL 1 -6.588 -3.061 -0.233 1.00 0.00 C HETATM 10 C8 UNL 1 -7.021 -3.290 -1.509 1.00 0.00 C HETATM 11 O3 UNL 1 -7.129 -4.571 -2.031 1.00 0.00 O HETATM 12 C9 UNL 1 -7.361 -2.235 -2.310 1.00 0.00 C HETATM 13 O4 UNL 1 -7.807 -2.457 -3.621 1.00 0.00 O HETATM 14 C10 UNL 1 -7.253 -0.965 -1.791 1.00 0.00 C HETATM 15 O5 UNL 1 -4.767 0.225 1.176 1.00 0.00 O HETATM 16 C11 UNL 1 -3.436 0.286 0.896 1.00 0.00 C HETATM 17 C12 UNL 1 -2.935 1.316 0.138 1.00 0.00 C HETATM 18 C13 UNL 1 -1.591 1.426 -0.176 1.00 0.00 C HETATM 19 C14 UNL 1 -0.715 0.493 0.271 1.00 0.00 C HETATM 20 C15 UNL 1 0.724 0.527 -0.010 1.00 0.00 C HETATM 21 C16 UNL 1 1.323 1.450 -0.711 1.00 0.00 C HETATM 22 C17 UNL 1 2.763 1.407 -0.942 1.00 0.00 C HETATM 23 O6 UNL 1 3.363 2.283 -1.613 1.00 0.00 O HETATM 24 O7 UNL 1 3.492 0.384 -0.414 1.00 0.00 O HETATM 25 C18 UNL 1 4.895 0.202 -0.547 1.00 0.00 C HETATM 26 C19 UNL 1 5.566 0.313 0.780 1.00 0.00 C HETATM 27 C20 UNL 1 7.022 0.122 0.646 1.00 0.00 C HETATM 28 C21 UNL 1 7.810 1.232 0.378 1.00 0.00 C HETATM 29 C22 UNL 1 9.172 1.131 0.256 1.00 0.00 C HETATM 30 C23 UNL 1 9.751 -0.115 0.407 1.00 0.00 C HETATM 31 O8 UNL 1 11.108 -0.233 0.287 1.00 0.00 O HETATM 32 C24 UNL 1 8.979 -1.204 0.669 1.00 0.00 C HETATM 33 O9 UNL 1 9.578 -2.447 0.817 1.00 0.00 O HETATM 34 C25 UNL 1 7.614 -1.113 0.794 1.00 0.00 C HETATM 35 C26 UNL 1 5.218 -1.004 -1.314 1.00 0.00 C HETATM 36 O10 UNL 1 6.370 -1.394 -1.607 1.00 0.00 O HETATM 37 O11 UNL 1 4.172 -1.823 -1.780 1.00 0.00 O HETATM 38 C27 UNL 1 -1.197 -0.555 1.037 1.00 0.00 C HETATM 39 C28 UNL 1 -2.545 -0.666 1.352 1.00 0.00 C HETATM 40 O12 UNL 1 -2.940 -1.743 2.120 1.00 0.00 O HETATM 41 H1 UNL 1 -5.433 4.474 3.393 1.00 0.00 H HETATM 42 H2 UNL 1 -5.109 5.020 1.685 1.00 0.00 H HETATM 43 H3 UNL 1 -3.764 4.663 2.784 1.00 0.00 H HETATM 44 H4 UNL 1 -7.493 1.373 -0.287 1.00 0.00 H HETATM 45 H5 UNL 1 -6.136 -1.641 1.301 1.00 0.00 H HETATM 46 H6 UNL 1 -6.320 -3.890 0.397 1.00 0.00 H HETATM 47 H7 UNL 1 -6.897 -5.404 -1.506 1.00 0.00 H HETATM 48 H8 UNL 1 -8.044 -1.657 -4.168 1.00 0.00 H HETATM 49 H9 UNL 1 -7.521 -0.145 -2.422 1.00 0.00 H HETATM 50 H10 UNL 1 -3.591 2.083 -0.240 1.00 0.00 H HETATM 51 H11 UNL 1 -1.227 2.250 -0.775 1.00 0.00 H HETATM 52 H12 UNL 1 1.374 -0.265 0.384 1.00 0.00 H HETATM 53 H13 UNL 1 0.768 2.250 -1.127 1.00 0.00 H HETATM 54 H14 UNL 1 5.245 1.074 -1.164 1.00 0.00 H HETATM 55 H15 UNL 1 5.402 1.306 1.236 1.00 0.00 H HETATM 56 H16 UNL 1 5.213 -0.463 1.510 1.00 0.00 H HETATM 57 H17 UNL 1 7.361 2.215 0.258 1.00 0.00 H HETATM 58 H18 UNL 1 9.825 1.982 0.045 1.00 0.00 H HETATM 59 H19 UNL 1 11.547 -1.126 0.393 1.00 0.00 H HETATM 60 H20 UNL 1 9.034 -3.283 1.015 1.00 0.00 H HETATM 61 H21 UNL 1 7.001 -1.975 1.003 1.00 0.00 H HETATM 62 H22 UNL 1 3.606 -1.401 -2.513 1.00 0.00 H HETATM 63 H23 UNL 1 -0.506 -1.306 1.398 1.00 0.00 H HETATM 64 H24 UNL 1 -2.259 -2.416 2.433 1.00 0.00 H CONECT 1 2 41 42 43 CONECT 2 3 CONECT 3 4 4 5 CONECT 5 6 6 15 CONECT 6 7 44 CONECT 7 8 8 14 CONECT 8 9 45 CONECT 9 10 10 46 CONECT 10 11 12 CONECT 11 47 CONECT 12 13 14 14 CONECT 13 48 CONECT 14 49 CONECT 15 16 CONECT 16 17 17 39 CONECT 17 18 50 CONECT 18 19 19 51 CONECT 19 20 38 CONECT 20 21 21 52 CONECT 21 22 53 CONECT 22 23 23 24 CONECT 24 25 CONECT 25 26 35 54 CONECT 26 27 55 56 CONECT 27 28 28 34 CONECT 28 29 57 CONECT 29 30 30 58 CONECT 30 31 32 CONECT 31 59 CONECT 32 33 34 34 CONECT 33 60 CONECT 34 61 CONECT 35 36 36 37 CONECT 37 62 CONECT 38 39 39 63 CONECT 39 40 CONECT 40 64 END