@MOLECULE FDBD01969 22 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0125 2 C1 1.3165 0.7789 -0.0063 C.3 1 UNK -0.0125 3 C2 0.0021 -0.0041 0.0020 C.3 1 UNK 0.1151 4 N -0.3674 -0.6924 1.2413 N.2 1 UNK -0.1131 5 C3 -0.5298 -1.9839 1.2450 C.cat 1 UNK 0.3827 6 N1 -0.3486 -2.7049 0.0835 N.pl3 1 UNK -0.1499 7 C4 -0.5198 -4.0732 0.0876 C.cat 1 UNK 0.3799 8 N2 -0.3478 -4.7538 -1.0086 N.2 1 UNK -0.1326 9 N3 -0.8727 -4.7204 1.2529 N.pl3 1 UNK -0.1500 10 C5 -1.0544 -3.9994 2.4142 C.cat 1 UNK 0.3799 11 N4 -1.3871 -4.6105 3.5144 N.2 1 UNK -0.1326 12 N5 -0.8776 -2.6318 2.4115 N.pl3 1 UNK -0.1499 13 H -0.3265 2.0519 0.8899 H 1 UNK 0.0301 14 H1 -0.4716 2.2797 -0.5990 H 1 UNK 0.0301 15 H2 1.9425 0.7826 0.8615 H 1 UNK 0.0301 16 H3 2.1841 0.7941 -0.6323 H 1 UNK 0.0301 17 H4 -0.4305 -0.7638 -0.6149 H 1 UNK 0.0729 18 H5 -0.0970 -2.2428 -0.7486 H 1 UNK 0.2568 19 H6 -0.0958 -4.2916 -1.8406 H 1 UNK 0.3058 20 H7 -0.9949 -5.6973 1.2558 H 1 UNK 0.2568 21 H8 -1.5133 -5.5869 3.5163 H 1 UNK 0.3058 22 H9 -0.9997 -2.1180 3.2424 H 1 UNK 0.2568 @BOND 1 1 3 1 2 1 2 1 3 2 3 1 4 3 4 1 5 4 5 2 6 5 12 1 7 5 6 1 8 6 7 1 9 7 8 2 10 7 9 1 11 9 10 1 12 10 11 2 13 10 12 1 14 1 13 1 15 1 14 1 16 2 15 1 17 2 16 1 18 3 17 1 19 6 18 1 20 8 19 1 21 9 20 1 22 11 21 1 23 12 22 1