COMPND HMDB0033734 HETATM 1 O1 UNL 1 2.029 -1.644 -2.894 1.00 0.00 O HETATM 2 C1 UNL 1 2.070 -0.989 -1.803 1.00 0.00 C HETATM 3 C2 UNL 1 1.252 0.237 -1.601 1.00 0.00 C HETATM 4 O2 UNL 1 0.149 0.016 -0.798 1.00 0.00 O HETATM 5 C3 UNL 1 -1.047 0.367 -1.399 1.00 0.00 C HETATM 6 O3 UNL 1 -1.612 1.396 -0.687 1.00 0.00 O HETATM 7 C4 UNL 1 -2.165 1.038 0.513 1.00 0.00 C HETATM 8 C5 UNL 1 -3.623 1.481 0.593 1.00 0.00 C HETATM 9 O4 UNL 1 -3.699 2.878 0.461 1.00 0.00 O HETATM 10 C6 UNL 1 -2.045 -0.408 0.860 1.00 0.00 C HETATM 11 O5 UNL 1 -2.821 -0.627 2.015 1.00 0.00 O HETATM 12 C7 UNL 1 -2.406 -1.348 -0.237 1.00 0.00 C HETATM 13 O6 UNL 1 -3.768 -1.640 -0.301 1.00 0.00 O HETATM 14 C8 UNL 1 -1.985 -0.798 -1.570 1.00 0.00 C HETATM 15 O7 UNL 1 -3.086 -0.326 -2.312 1.00 0.00 O HETATM 16 O8 UNL 1 2.086 1.178 -0.947 1.00 0.00 O HETATM 17 C9 UNL 1 2.914 0.853 0.116 1.00 0.00 C HETATM 18 C10 UNL 1 3.313 1.789 1.047 1.00 0.00 C HETATM 19 C11 UNL 1 4.135 1.372 2.068 1.00 0.00 C HETATM 20 C12 UNL 1 4.549 0.059 2.157 1.00 0.00 C HETATM 21 C13 UNL 1 4.148 -0.887 1.218 1.00 0.00 C HETATM 22 C14 UNL 1 3.334 -0.480 0.206 1.00 0.00 C HETATM 23 N1 UNL 1 2.921 -1.447 -0.758 1.00 0.00 N HETATM 24 O9 UNL 1 3.315 -2.739 -0.690 1.00 0.00 O HETATM 25 H1 UNL 1 0.963 0.659 -2.586 1.00 0.00 H HETATM 26 H2 UNL 1 -0.819 0.755 -2.420 1.00 0.00 H HETATM 27 H3 UNL 1 -1.639 1.620 1.317 1.00 0.00 H HETATM 28 H4 UNL 1 -4.247 0.997 -0.183 1.00 0.00 H HETATM 29 H5 UNL 1 -4.069 1.225 1.572 1.00 0.00 H HETATM 30 H6 UNL 1 -4.322 3.259 1.126 1.00 0.00 H HETATM 31 H7 UNL 1 -0.991 -0.609 1.167 1.00 0.00 H HETATM 32 H8 UNL 1 -2.384 -1.323 2.563 1.00 0.00 H HETATM 33 H9 UNL 1 -1.897 -2.328 -0.020 1.00 0.00 H HETATM 34 H10 UNL 1 -3.906 -2.120 -1.168 1.00 0.00 H HETATM 35 H11 UNL 1 -1.502 -1.564 -2.194 1.00 0.00 H HETATM 36 H12 UNL 1 -3.077 0.649 -2.414 1.00 0.00 H HETATM 37 H13 UNL 1 2.956 2.802 0.926 1.00 0.00 H HETATM 38 H14 UNL 1 4.468 2.074 2.815 1.00 0.00 H HETATM 39 H15 UNL 1 5.189 -0.275 2.947 1.00 0.00 H HETATM 40 H16 UNL 1 4.464 -1.920 1.275 1.00 0.00 H HETATM 41 H17 UNL 1 2.852 -3.231 0.019 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 23 CONECT 3 4 16 25 CONECT 4 5 CONECT 5 6 14 26 CONECT 6 7 CONECT 7 8 10 27 CONECT 8 9 28 29 CONECT 9 30 CONECT 10 11 12 31 CONECT 11 32 CONECT 12 13 14 33 CONECT 13 34 CONECT 14 15 35 CONECT 15 36 CONECT 16 17 CONECT 17 18 18 22 CONECT 18 19 37 CONECT 19 20 20 38 CONECT 20 21 39 CONECT 21 22 22 40 CONECT 22 23 CONECT 23 24 CONECT 24 41 END