COMPND HMDB0013943 HETATM 1 O1 UNL 1 5.108 0.097 1.070 1.00 0.00 O HETATM 2 C1 UNL 1 3.781 -0.123 1.332 1.00 0.00 C HETATM 3 C2 UNL 1 3.090 -1.090 0.478 1.00 0.00 C HETATM 4 N1 UNL 1 3.381 -2.422 0.335 1.00 0.00 N HETATM 5 N2 UNL 1 2.484 -3.006 -0.468 1.00 0.00 N HETATM 6 C3 UNL 1 1.603 -2.092 -0.862 1.00 0.00 C HETATM 7 N3 UNL 1 2.011 -0.922 -0.262 1.00 0.00 N HETATM 8 C4 UNL 1 1.358 0.332 -0.434 1.00 0.00 C HETATM 9 C5 UNL 1 2.256 1.349 -0.476 1.00 0.00 C HETATM 10 C6 UNL 1 1.730 2.619 -0.690 1.00 0.00 C HETATM 11 C7 UNL 1 0.346 2.793 -0.853 1.00 0.00 C HETATM 12 CL1 UNL 1 -0.377 4.363 -1.121 1.00 0.00 CL HETATM 13 C8 UNL 1 -0.520 1.724 -0.806 1.00 0.00 C HETATM 14 C9 UNL 1 -0.010 0.463 -0.589 1.00 0.00 C HETATM 15 C10 UNL 1 -1.018 -0.576 -0.578 1.00 0.00 C HETATM 16 C11 UNL 1 -2.314 -0.274 -0.031 1.00 0.00 C HETATM 17 C12 UNL 1 -3.319 -1.232 -0.254 1.00 0.00 C HETATM 18 C13 UNL 1 -4.573 -1.152 0.295 1.00 0.00 C HETATM 19 C14 UNL 1 -4.903 -0.100 1.107 1.00 0.00 C HETATM 20 C15 UNL 1 -3.947 0.857 1.350 1.00 0.00 C HETATM 21 C16 UNL 1 -2.665 0.764 0.784 1.00 0.00 C HETATM 22 N4 UNL 1 -0.798 -1.757 -1.087 1.00 0.00 N HETATM 23 C17 UNL 1 0.399 -2.290 -1.729 1.00 0.00 C HETATM 24 H1 UNL 1 5.274 1.075 1.164 1.00 0.00 H HETATM 25 H2 UNL 1 3.196 0.722 1.730 1.00 0.00 H HETATM 26 H3 UNL 1 3.872 -0.713 2.330 1.00 0.00 H HETATM 27 H4 UNL 1 3.286 1.205 -0.418 1.00 0.00 H HETATM 28 H5 UNL 1 2.336 3.506 -0.739 1.00 0.00 H HETATM 29 H6 UNL 1 -1.590 1.803 -0.991 1.00 0.00 H HETATM 30 H7 UNL 1 -3.044 -2.068 -0.906 1.00 0.00 H HETATM 31 H8 UNL 1 -5.319 -1.933 0.084 1.00 0.00 H HETATM 32 H9 UNL 1 -5.894 -0.016 1.552 1.00 0.00 H HETATM 33 H10 UNL 1 -4.128 1.718 1.980 1.00 0.00 H HETATM 34 H11 UNL 1 -1.923 1.509 1.059 1.00 0.00 H HETATM 35 H12 UNL 1 0.269 -3.370 -1.871 1.00 0.00 H HETATM 36 H13 UNL 1 0.562 -1.763 -2.658 1.00 0.00 H CONECT 1 2 24 CONECT 2 3 25 26 CONECT 3 4 4 7 CONECT 4 5 CONECT 5 6 6 CONECT 6 7 23 CONECT 7 8 CONECT 8 9 9 14 CONECT 9 10 27 CONECT 10 11 11 28 CONECT 11 12 13 CONECT 13 14 14 29 CONECT 14 15 CONECT 15 16 22 22 CONECT 16 17 17 21 CONECT 17 18 30 CONECT 18 19 19 31 CONECT 19 20 32 CONECT 20 21 21 33 CONECT 21 34 CONECT 22 23 CONECT 23 35 36 END