@MOLECULE acipimox 17 17 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.1882 1.7286 0.0034 O.2 1 UNL11 -0.4268 2 O -3.0419 -0.9401 0.0082 O.3 1 UNL11 -0.4690 3 OXT -2.7905 1.2804 -0.0072 O.2 1 UNL11 -0.4803 4 N 1.3925 0.7786 0.0014 N.ar 1 UNL11 0.3745 5 N -0.4038 -1.3710 -0.0030 N.ar 1 UNL11 -0.3277 6 C 1.8594 -0.5289 -0.0010 C.ar 1 UNL11 -0.0732 7 C 0.0361 1.0012 0.0015 C.ar 1 UNL11 -0.2262 8 CA -0.8309 -0.0969 -0.0007 C.ar 1 UNL11 0.0845 9 C 0.9281 -1.5725 -0.0032 C.ar 1 UNL11 0.0450 10 C 3.3248 -0.7405 -0.0004 C.3 1 UNL11 -0.4250 11 C -2.2980 0.1806 -0.0007 C.2 1 UNL11 0.6215 12 H -0.3194 2.0400 0.0034 H 1 UNL11 0.2318 13 H 1.2540 -2.6225 -0.0056 H 1 UNL11 0.1946 14 H 3.6056 -1.8017 -0.0170 H 1 UNL11 0.1630 15 H 3.8040 -0.2548 -0.8715 H 1 UNL11 0.1829 16 H 3.7987 -0.2830 0.8884 H 1 UNL11 0.1824 17 H -4.0199 -0.7469 0.0080 H 1 UNL11 0.3480 @BOND 1 16 10 1 2 17 2 1 3 2 11 1 4 10 6 1 5 10 14 1 6 10 15 1 7 7 4 ar 8 7 8 ar 9 7 12 1 10 4 1 2 11 4 6 ar 12 8 11 1 13 8 5 ar 14 11 3 2 15 6 9 ar 16 5 9 ar 17 13 9 1