@MOLECULE FDBD02007 27 28 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 0.1159 4 N -0.3674 -0.6924 1.2413 N.2 1 UNK -0.1056 5 C3 -0.5299 -1.9847 1.2450 C.cat 1 UNK 0.4061 6 N1 -0.8819 -2.6144 2.4143 N.pl3 1 UNK -0.1881 7 C4 -1.0639 -3.9686 2.4681 C.3 1 UNK 0.1171 8 C5 -0.8919 -4.7390 1.3192 C.3 1 UNK 0.2213 9 C6 -1.0786 -6.1583 1.3564 C.1 1 UNK 0.0876 10 N2 -1.2268 -7.2842 1.3858 N.1 1 UNK -0.1953 11 C7 -0.5147 -4.0633 0.0666 C.cat 1 UNK 0.3134 12 N3 -0.3433 -4.7476 -1.0355 N.2 1 UNK -0.1019 13 N4 -0.3510 -2.6882 0.0773 N.pl3 1 UNK -0.1470 14 N5 -1.4134 -4.5657 3.6462 N.4 1 UNK 0.2468 15 H -0.3265 2.0519 0.8899 H 1 UNK 0.0301 16 H1 -0.4716 2.2797 -0.5990 H 1 UNK 0.0301 17 H2 1.9425 0.7826 0.8615 H 1 UNK 0.0301 18 H3 2.1841 0.7941 -0.6323 H 1 UNK 0.0301 19 H4 -0.4305 -0.7638 -0.6149 H 1 UNK 0.0729 20 H5 -1.0058 -2.0790 3.2312 H 1 UNK 0.2508 21 H6 -1.5299 -4.3857 3.3363 H 1 UNK 0.1283 22 H7 -1.0174 -5.8012 1.3479 H 1 UNK 0.0672 23 H8 -0.4623 -5.7249 -1.0317 H 1 UNK 0.3630 24 H9 -0.1067 -2.2147 -0.7506 H 1 UNK 0.3039 25 H10 -0.5754 -4.9106 4.1143 H 1 UNK 0.2028 26 H11 -2.0433 -5.3457 3.4583 H 1 UNK 0.2028 27 H12 -1.8825 -3.8866 4.2455 H 1 UNK 0.2028 @BOND 1 1 3 1 2 1 2 1 3 2 3 1 4 3 4 1 5 4 5 2 6 5 13 1 7 5 6 1 8 6 7 1 9 7 8 1 10 7 14 1 11 8 9 1 12 8 11 1 13 9 10 3 14 11 12 2 15 11 13 1 16 1 15 1 17 1 16 1 18 2 17 1 19 2 18 1 20 3 19 1 21 6 20 1 22 7 21 1 23 8 22 1 24 12 23 1 25 13 24 1 26 14 25 1 27 14 26 1 28 14 27 1