COMPND HMDB0259284 HETATM 1 C1 UNL 1 -2.617 2.173 -2.806 1.00 0.00 C HETATM 2 O1 UNL 1 -3.104 1.126 -1.980 1.00 0.00 O HETATM 3 C2 UNL 1 -2.290 0.731 -0.928 1.00 0.00 C HETATM 4 C3 UNL 1 -1.053 1.311 -0.668 1.00 0.00 C HETATM 5 C4 UNL 1 -0.261 0.905 0.379 1.00 0.00 C HETATM 6 C5 UNL 1 1.036 1.522 0.642 1.00 0.00 C HETATM 7 S1 UNL 1 0.969 3.068 1.225 1.00 0.00 S HETATM 8 N1 UNL 1 2.264 0.873 0.426 1.00 0.00 N HETATM 9 C6 UNL 1 2.297 -0.467 -0.080 1.00 0.00 C HETATM 10 C7 UNL 1 3.532 -0.780 -0.863 1.00 0.00 C HETATM 11 O2 UNL 1 4.678 -0.195 -0.405 1.00 0.00 O HETATM 12 C8 UNL 1 4.570 0.444 0.802 1.00 0.00 C HETATM 13 C9 UNL 1 3.503 1.537 0.705 1.00 0.00 C HETATM 14 C10 UNL 1 -0.669 -0.105 1.223 1.00 0.00 C HETATM 15 C11 UNL 1 -1.902 -0.700 0.982 1.00 0.00 C HETATM 16 O3 UNL 1 -2.338 -1.718 1.815 1.00 0.00 O HETATM 17 C12 UNL 1 -1.600 -2.196 2.904 1.00 0.00 C HETATM 18 C13 UNL 1 -2.681 -0.278 -0.074 1.00 0.00 C HETATM 19 O4 UNL 1 -3.928 -0.880 -0.316 1.00 0.00 O HETATM 20 C14 UNL 1 -3.927 -2.011 -1.183 1.00 0.00 C HETATM 21 H1 UNL 1 -3.437 2.447 -3.496 1.00 0.00 H HETATM 22 H2 UNL 1 -1.733 1.840 -3.387 1.00 0.00 H HETATM 23 H3 UNL 1 -2.368 3.075 -2.227 1.00 0.00 H HETATM 24 H4 UNL 1 -0.744 2.098 -1.332 1.00 0.00 H HETATM 25 H5 UNL 1 2.127 -1.233 0.713 1.00 0.00 H HETATM 26 H6 UNL 1 1.430 -0.561 -0.793 1.00 0.00 H HETATM 27 H7 UNL 1 3.398 -0.583 -1.946 1.00 0.00 H HETATM 28 H8 UNL 1 3.682 -1.898 -0.793 1.00 0.00 H HETATM 29 H9 UNL 1 5.542 0.892 1.067 1.00 0.00 H HETATM 30 H10 UNL 1 4.294 -0.289 1.578 1.00 0.00 H HETATM 31 H11 UNL 1 3.475 2.144 1.632 1.00 0.00 H HETATM 32 H12 UNL 1 3.757 2.161 -0.190 1.00 0.00 H HETATM 33 H13 UNL 1 -0.063 -0.440 2.053 1.00 0.00 H HETATM 34 H14 UNL 1 -0.543 -2.347 2.588 1.00 0.00 H HETATM 35 H15 UNL 1 -1.950 -3.191 3.247 1.00 0.00 H HETATM 36 H16 UNL 1 -1.606 -1.520 3.779 1.00 0.00 H HETATM 37 H17 UNL 1 -3.838 -2.948 -0.596 1.00 0.00 H HETATM 38 H18 UNL 1 -4.841 -2.011 -1.823 1.00 0.00 H HETATM 39 H19 UNL 1 -3.062 -1.994 -1.874 1.00 0.00 H CONECT 1 2 21 22 23 CONECT 2 3 CONECT 3 4 4 18 CONECT 4 5 24 CONECT 5 6 14 14 CONECT 6 7 7 8 CONECT 8 9 13 CONECT 9 10 25 26 CONECT 10 11 27 28 CONECT 11 12 CONECT 12 13 29 30 CONECT 13 31 32 CONECT 14 15 33 CONECT 15 16 18 18 CONECT 16 17 CONECT 17 34 35 36 CONECT 18 19 CONECT 19 20 CONECT 20 37 38 39 END