COMPND HMDB0014933 HETATM 1 O1 UNL 1 7.533 2.747 -0.141 1.00 0.00 O HETATM 2 C1 UNL 1 6.297 2.689 0.013 1.00 0.00 C HETATM 3 O2 UNL 1 5.605 3.822 0.378 1.00 0.00 O HETATM 4 C2 UNL 1 5.602 1.425 -0.195 1.00 0.00 C HETATM 5 C3 UNL 1 4.234 1.309 -0.037 1.00 0.00 C HETATM 6 C4 UNL 1 3.557 0.129 -0.228 1.00 0.00 C HETATM 7 N1 UNL 1 2.123 0.073 -0.046 1.00 0.00 N HETATM 8 N2 UNL 1 1.659 -1.002 0.387 1.00 0.00 N HETATM 9 C5 UNL 1 0.292 -1.271 0.636 1.00 0.00 C HETATM 10 C6 UNL 1 -0.261 -1.220 1.897 1.00 0.00 C HETATM 11 C7 UNL 1 -1.595 -1.488 2.099 1.00 0.00 C HETATM 12 C8 UNL 1 -2.431 -1.821 1.036 1.00 0.00 C HETATM 13 S1 UNL 1 -4.123 -2.169 1.277 1.00 0.00 S HETATM 14 O3 UNL 1 -4.252 -2.829 2.625 1.00 0.00 O HETATM 15 O4 UNL 1 -4.617 -3.186 0.268 1.00 0.00 O HETATM 16 N3 UNL 1 -5.070 -0.738 1.223 1.00 0.00 N HETATM 17 C9 UNL 1 -5.158 0.103 0.074 1.00 0.00 C HETATM 18 C10 UNL 1 -5.935 1.238 0.098 1.00 0.00 C HETATM 19 C11 UNL 1 -5.994 2.021 -1.027 1.00 0.00 C HETATM 20 C12 UNL 1 -5.281 1.653 -2.135 1.00 0.00 C HETATM 21 C13 UNL 1 -4.499 0.504 -2.145 1.00 0.00 C HETATM 22 N4 UNL 1 -4.476 -0.220 -1.030 1.00 0.00 N HETATM 23 C14 UNL 1 -1.866 -1.869 -0.219 1.00 0.00 C HETATM 24 C15 UNL 1 -0.510 -1.597 -0.432 1.00 0.00 C HETATM 25 C16 UNL 1 4.257 -0.999 -0.592 1.00 0.00 C HETATM 26 C17 UNL 1 5.611 -0.904 -0.753 1.00 0.00 C HETATM 27 C18 UNL 1 6.288 0.275 -0.563 1.00 0.00 C HETATM 28 O5 UNL 1 7.658 0.312 -0.740 1.00 0.00 O HETATM 29 H1 UNL 1 5.914 4.769 0.174 1.00 0.00 H HETATM 30 H2 UNL 1 3.678 2.210 0.254 1.00 0.00 H HETATM 31 H3 UNL 1 0.354 -0.962 2.775 1.00 0.00 H HETATM 32 H4 UNL 1 -2.070 -1.459 3.076 1.00 0.00 H HETATM 33 H5 UNL 1 -5.612 -0.459 2.065 1.00 0.00 H HETATM 34 H6 UNL 1 -6.482 1.489 0.996 1.00 0.00 H HETATM 35 H7 UNL 1 -6.596 2.921 -1.044 1.00 0.00 H HETATM 36 H8 UNL 1 -5.327 2.278 -3.034 1.00 0.00 H HETATM 37 H9 UNL 1 -3.943 0.244 -3.052 1.00 0.00 H HETATM 38 H10 UNL 1 -2.444 -2.123 -1.105 1.00 0.00 H HETATM 39 H11 UNL 1 -0.103 -1.648 -1.452 1.00 0.00 H HETATM 40 H12 UNL 1 3.678 -1.905 -0.731 1.00 0.00 H HETATM 41 H13 UNL 1 6.133 -1.825 -1.045 1.00 0.00 H HETATM 42 H14 UNL 1 8.169 -0.517 -1.008 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 29 CONECT 4 5 5 27 CONECT 5 6 30 CONECT 6 7 25 25 CONECT 7 8 8 CONECT 8 9 CONECT 9 10 10 24 CONECT 10 11 31 CONECT 11 12 12 32 CONECT 12 13 23 CONECT 13 14 14 15 15 CONECT 13 16 CONECT 16 17 33 CONECT 17 18 18 22 CONECT 18 19 34 CONECT 19 20 20 35 CONECT 20 21 36 CONECT 21 22 22 37 CONECT 23 24 24 38 CONECT 24 39 CONECT 25 26 40 CONECT 26 27 27 41 CONECT 27 28 CONECT 28 42 END