@MOLECULE FDBD02971 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3209 1.3557 0.1157 C.3 1 UNK 0.0841 2 C1 1.8374 1.5665 0.0408 C.3 1 UNK 0.0767 3 O 2.3472 0.9089 -1.1218 O.3 1 UNK -0.3739 4 C2 2.1660 -0.5092 -1.1187 C.3 1 UNK 0.0767 5 C3 0.6663 -0.8264 -1.1031 C.3 1 UNK 0.0841 6 N 0.0469 -0.0860 0.0076 N.pl3 1 UNK -0.2185 7 C4 -0.7642 -0.7224 0.9169 C.cat 1 UNK 0.3819 8 N1 -1.0637 -1.9795 0.7545 N.2 1 UNK -0.1310 9 N2 -1.2607 -0.0296 2.0014 N.pl3 1 UNK -0.1879 10 C5 -1.9543 -0.6985 2.9884 C.cat 1 UNK 0.3853 11 N3 -2.0340 -1.9983 2.9617 N.pl3 1 UNK -0.1293 12 N4 -2.5613 0.0066 4.0003 N.pl3 1 UNK -0.2888 13 H -0.0497 1.7251 1.0490 H 1 UNK 0.0657 14 H1 -0.1634 1.8828 -0.6796 H 1 UNK 0.0657 15 H2 2.2991 1.1570 0.9149 H 1 UNK 0.0589 16 H3 2.0522 2.6132 -0.0153 H 1 UNK 0.0589 17 H4 2.6291 -0.9271 -0.2494 H 1 UNK 0.0589 18 H5 2.6131 -0.9304 -1.9948 H 1 UNK 0.0589 19 H6 0.5205 -1.8771 -0.9629 H 1 UNK 0.0657 20 H7 0.2197 -0.5381 -2.0317 H 1 UNK 0.0657 21 H8 -0.7093 -2.4739 -0.0196 H 1 UNK 0.3060 22 H9 -1.1200 0.9423 2.0710 H 1 UNK 0.2705 23 H10 -1.5993 -2.5033 2.2370 H 1 UNK 0.3062 24 H11 -2.5011 0.9890 4.0205 H 1 UNK 0.2547 25 H12 -3.0562 -0.4709 4.7048 H 1 UNK 0.2547 @BOND 1 1 6 1 2 1 2 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 8 21 1 22 9 22 1 23 11 23 1 24 12 24 1 25 12 25 1