COMPND HMDB0060894 HETATM 1 C1 UNL 1 0.683 0.049 1.736 1.00 0.00 C HETATM 2 C2 UNL 1 0.684 0.450 0.273 1.00 0.00 C HETATM 3 C3 UNL 1 1.915 0.040 -0.295 1.00 0.00 C HETATM 4 N1 UNL 1 2.907 -0.322 0.584 1.00 0.00 N HETATM 5 C4 UNL 1 4.122 -0.705 0.274 1.00 0.00 C HETATM 6 N2 UNL 1 4.490 -0.767 -1.017 1.00 0.00 N HETATM 7 C5 UNL 1 3.579 -0.430 -1.933 1.00 0.00 C HETATM 8 C6 UNL 1 2.299 -0.027 -1.612 1.00 0.00 C HETATM 9 F1 UNL 1 1.401 0.310 -2.528 1.00 0.00 F HETATM 10 C7 UNL 1 -0.673 0.165 -0.243 1.00 0.00 C HETATM 11 O1 UNL 1 -0.875 0.536 -1.569 1.00 0.00 O HETATM 12 C8 UNL 1 -1.047 -1.270 -0.211 1.00 0.00 C HETATM 13 C9 UNL 1 -0.165 -2.263 0.184 1.00 0.00 C HETATM 14 C10 UNL 1 -0.489 -3.615 0.234 1.00 0.00 C HETATM 15 C11 UNL 1 -1.732 -4.017 -0.120 1.00 0.00 C HETATM 16 F2 UNL 1 -2.041 -5.348 -0.067 1.00 0.00 F HETATM 17 C12 UNL 1 -2.639 -3.089 -0.518 1.00 0.00 C HETATM 18 C13 UNL 1 -2.291 -1.732 -0.560 1.00 0.00 C HETATM 19 F3 UNL 1 -3.241 -0.928 -1.015 1.00 0.00 F HETATM 20 C14 UNL 1 -1.588 1.079 0.525 1.00 0.00 C HETATM 21 O2 UNL 1 -2.908 1.005 0.139 1.00 0.00 O HETATM 22 N3 UNL 1 -1.228 2.496 0.418 1.00 0.00 N HETATM 23 C15 UNL 1 -0.680 3.261 1.408 1.00 0.00 C HETATM 24 N4 UNL 1 -0.497 4.514 0.969 1.00 0.00 N HETATM 25 C16 UNL 1 -0.928 4.553 -0.300 1.00 0.00 C HETATM 26 N5 UNL 1 -1.359 3.327 -0.597 1.00 0.00 N HETATM 27 H1 UNL 1 1.609 -0.534 2.013 1.00 0.00 H HETATM 28 H2 UNL 1 -0.165 -0.598 1.987 1.00 0.00 H HETATM 29 H3 UNL 1 0.761 0.928 2.421 1.00 0.00 H HETATM 30 H4 UNL 1 0.734 1.597 0.310 1.00 0.00 H HETATM 31 H5 UNL 1 4.881 -0.984 0.995 1.00 0.00 H HETATM 32 H6 UNL 1 3.811 -0.459 -2.991 1.00 0.00 H HETATM 33 H7 UNL 1 -0.846 1.479 -1.765 1.00 0.00 H HETATM 34 H8 UNL 1 0.827 -2.031 0.450 1.00 0.00 H HETATM 35 H9 UNL 1 0.272 -4.338 0.560 1.00 0.00 H HETATM 36 H10 UNL 1 -3.627 -3.376 -0.803 1.00 0.00 H HETATM 37 H11 UNL 1 -1.496 0.884 1.638 1.00 0.00 H HETATM 38 H12 UNL 1 -3.136 1.739 -0.454 1.00 0.00 H HETATM 39 H13 UNL 1 -0.413 2.970 2.416 1.00 0.00 H HETATM 40 H14 UNL 1 -0.910 5.451 -0.938 1.00 0.00 H CONECT 1 2 27 28 29 CONECT 2 3 10 30 CONECT 3 4 4 8 CONECT 4 5 CONECT 5 6 6 31 CONECT 6 7 CONECT 7 8 8 32 CONECT 8 9 CONECT 10 11 12 20 CONECT 11 33 CONECT 12 13 13 18 CONECT 13 14 34 CONECT 14 15 15 35 CONECT 15 16 17 CONECT 17 18 18 36 CONECT 18 19 CONECT 20 21 22 37 CONECT 21 38 CONECT 22 23 26 CONECT 23 24 24 39 CONECT 24 25 CONECT 25 26 26 40 END