COMPND HMDB0094673 HETATM 1 C1 UNL 1 4.925 1.126 0.988 1.00 0.00 C HETATM 2 C2 UNL 1 3.859 0.066 0.661 1.00 0.00 C HETATM 3 C3 UNL 1 4.546 -0.973 -0.189 1.00 0.00 C HETATM 4 C4 UNL 1 2.764 0.779 -0.042 1.00 0.00 C HETATM 5 C5 UNL 1 1.599 -0.028 -0.475 1.00 0.00 C HETATM 6 N1 UNL 1 0.675 0.911 -1.152 1.00 0.00 N HETATM 7 C6 UNL 1 -0.559 0.519 -1.397 1.00 0.00 C HETATM 8 O1 UNL 1 -1.422 1.393 -2.027 1.00 0.00 O HETATM 9 C7 UNL 1 -0.881 -0.845 -0.958 1.00 0.00 C HETATM 10 C8 UNL 1 -2.253 -1.336 -1.173 1.00 0.00 C HETATM 11 C9 UNL 1 -3.352 -0.622 -0.547 1.00 0.00 C HETATM 12 C10 UNL 1 -3.672 -0.884 0.775 1.00 0.00 C HETATM 13 C11 UNL 1 -4.714 -0.266 1.422 1.00 0.00 C HETATM 14 C12 UNL 1 -5.458 0.653 0.699 1.00 0.00 C HETATM 15 C13 UNL 1 -5.159 0.927 -0.613 1.00 0.00 C HETATM 16 C14 UNL 1 -4.096 0.288 -1.251 1.00 0.00 C HETATM 17 N2 UNL 1 -0.431 -0.980 0.422 1.00 0.00 N HETATM 18 C15 UNL 1 0.786 -0.581 0.664 1.00 0.00 C HETATM 19 O2 UNL 1 1.300 -0.666 1.923 1.00 0.00 O HETATM 20 H1 UNL 1 5.401 0.930 1.957 1.00 0.00 H HETATM 21 H2 UNL 1 4.465 2.140 1.017 1.00 0.00 H HETATM 22 H3 UNL 1 5.658 1.156 0.149 1.00 0.00 H HETATM 23 H4 UNL 1 3.545 -0.324 1.628 1.00 0.00 H HETATM 24 H5 UNL 1 4.083 -1.121 -1.167 1.00 0.00 H HETATM 25 H6 UNL 1 5.623 -0.761 -0.355 1.00 0.00 H HETATM 26 H7 UNL 1 4.531 -1.940 0.393 1.00 0.00 H HETATM 27 H8 UNL 1 2.420 1.603 0.646 1.00 0.00 H HETATM 28 H9 UNL 1 3.176 1.280 -0.961 1.00 0.00 H HETATM 29 H10 UNL 1 1.881 -0.854 -1.130 1.00 0.00 H HETATM 30 H11 UNL 1 -1.562 2.358 -1.725 1.00 0.00 H HETATM 31 H12 UNL 1 -0.197 -1.519 -1.552 1.00 0.00 H HETATM 32 H13 UNL 1 -2.385 -1.433 -2.297 1.00 0.00 H HETATM 33 H14 UNL 1 -2.270 -2.420 -0.843 1.00 0.00 H HETATM 34 H15 UNL 1 -3.076 -1.612 1.336 1.00 0.00 H HETATM 35 H16 UNL 1 -4.989 -0.448 2.452 1.00 0.00 H HETATM 36 H17 UNL 1 -6.302 1.171 1.181 1.00 0.00 H HETATM 37 H18 UNL 1 -5.734 1.650 -1.203 1.00 0.00 H HETATM 38 H19 UNL 1 -3.917 0.540 -2.311 1.00 0.00 H HETATM 39 H20 UNL 1 1.191 0.122 2.551 1.00 0.00 H CONECT 1 2 20 21 22 CONECT 2 3 4 23 CONECT 3 24 25 26 CONECT 4 5 27 28 CONECT 5 6 18 29 CONECT 6 7 7 CONECT 7 8 9 CONECT 8 30 CONECT 9 10 17 31 CONECT 10 11 32 33 CONECT 11 12 12 16 CONECT 12 13 34 CONECT 13 14 14 35 CONECT 14 15 36 CONECT 15 16 16 37 CONECT 16 38 CONECT 17 18 18 CONECT 18 19 CONECT 19 39 END