COMPND HMDB0250093 HETATM 1 C1 UNL 1 -1.386 -1.186 1.206 1.00 0.00 C HETATM 2 C2 UNL 1 -1.818 0.024 0.473 1.00 0.00 C HETATM 3 C3 UNL 1 -3.177 0.295 0.340 1.00 0.00 C HETATM 4 C4 UNL 1 -3.613 1.413 -0.337 1.00 0.00 C HETATM 5 CL1 UNL 1 -5.330 1.737 -0.495 1.00 0.00 CL HETATM 6 C5 UNL 1 -2.649 2.243 -0.870 1.00 0.00 C HETATM 7 C6 UNL 1 -1.299 1.977 -0.740 1.00 0.00 C HETATM 8 C7 UNL 1 -0.859 0.858 -0.063 1.00 0.00 C HETATM 9 N1 UNL 1 0.519 0.555 0.090 1.00 0.00 N HETATM 10 C8 UNL 1 1.074 -0.524 -0.257 1.00 0.00 C HETATM 11 N2 UNL 1 2.463 -0.699 -0.047 1.00 0.00 N HETATM 12 C9 UNL 1 3.045 -1.760 0.731 1.00 0.00 C HETATM 13 C10 UNL 1 3.383 0.258 -0.656 1.00 0.00 C HETATM 14 H1 UNL 1 -0.387 -1.054 1.657 1.00 0.00 H HETATM 15 H2 UNL 1 -1.420 -2.065 0.510 1.00 0.00 H HETATM 16 H3 UNL 1 -2.158 -1.429 1.991 1.00 0.00 H HETATM 17 H4 UNL 1 -3.939 -0.348 0.753 1.00 0.00 H HETATM 18 H5 UNL 1 -2.991 3.121 -1.402 1.00 0.00 H HETATM 19 H6 UNL 1 -0.535 2.624 -1.156 1.00 0.00 H HETATM 20 H7 UNL 1 0.504 -1.311 -0.710 1.00 0.00 H HETATM 21 H8 UNL 1 3.595 -1.378 1.627 1.00 0.00 H HETATM 22 H9 UNL 1 3.806 -2.288 0.089 1.00 0.00 H HETATM 23 H10 UNL 1 2.302 -2.521 1.043 1.00 0.00 H HETATM 24 H11 UNL 1 3.753 -0.228 -1.590 1.00 0.00 H HETATM 25 H12 UNL 1 2.883 1.214 -0.877 1.00 0.00 H HETATM 26 H13 UNL 1 4.235 0.475 0.018 1.00 0.00 H CONECT 1 2 14 15 16 CONECT 2 3 3 8 CONECT 3 4 17 CONECT 4 5 6 6 CONECT 6 7 18 CONECT 7 8 8 19 CONECT 8 9 CONECT 9 10 10 CONECT 10 11 20 CONECT 11 12 13 CONECT 12 21 22 23 CONECT 13 24 25 26 END