@MOLECULE nifurhydrazone 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7640 1.4660 -0.0414 C.ar 1 UNL1111 -0.0824 2 C -1.5632 2.2353 -0.0385 C.ar 1 UNL1111 -0.2778 3 C 5.2581 -0.3408 0.0577 C.3 1 UNL1111 -0.5377 4 H 3.4506 1.4961 0.1003 H 1 UNL1111 0.2912 5 C -2.3645 0.1477 -0.0035 C.ar 1 UNL1111 -0.0545 6 C -0.5171 1.3302 0.0008 C.ar 1 UNL1111 0.1630 7 O -4.3127 -0.9915 -0.0047 O.2 1 UNL1111 -0.4064 8 O 3.2849 -1.6993 -0.1106 O.2 1 UNL1111 -0.3802 9 C 3.7853 -0.6162 -0.0216 C.2 1 UNL1111 0.6071 10 C 0.9139 1.5102 0.0297 C.2 1 UNL1111 -0.1795 11 N 3.0073 0.5838 0.0314 N.am 1 UNL1111 -0.4663 12 N 1.6725 0.4492 -0.0053 N.2 1 UNL1111 -0.0263 13 O -2.4784 -2.1289 0.0504 O.2 1 UNL1111 -0.3587 14 N -3.0921 -1.0786 0.0153 N.pl3 1 UNL1111 0.6462 15 O -0.9807 0.0318 0.0223 O.2 1 UNL1111 -0.0351 16 H -3.7704 1.8455 -0.0680 H 1 UNL1111 0.1896 17 H -1.5035 3.3034 -0.0633 H 1 UNL1111 0.1811 18 H 1.2529 2.5516 0.0809 H 1 UNL1111 0.1695 19 H 5.5671 -0.1060 1.0878 H 1 UNL1111 0.1850 20 H 5.8227 -1.2416 -0.2448 H 1 UNL1111 0.1976 21 H 5.5891 0.4766 -0.5946 H 1 UNL1111 0.1746 @BOND 1 21 3 1 2 20 3 1 3 8 9 2 4 16 1 1 5 17 2 1 6 1 2 ar 7 1 5 ar 8 2 6 ar 9 9 11 am 10 9 3 1 11 12 10 2 12 12 11 1 13 7 14 2 14 5 14 1 15 5 15 ar 16 6 15 ar 17 6 10 1 18 14 13 2 19 10 18 1 20 11 4 1 21 3 19 1