@MOLECULE FDBD00038 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7192 1.7115 -0.3029 O.3 1 UNK -0.5043 2 O1 -3.0788 -0.9346 -0.8606 O.3 1 UNK -0.3903 3 O2 -0.6228 2.8601 0.3345 O.2 1 UNK -0.2956 4 N 1.1182 -1.8555 0.1619 N.ar 1 UNK -0.2562 5 C -0.9917 -0.6784 0.2503 C.ar 1 UNK 0.0096 6 C1 -0.3346 0.5297 0.0448 C.ar 1 UNK 0.0641 7 C2 1.0479 0.5466 -0.1021 C.ar 1 UNK 0.1483 8 C3 1.7219 -0.6622 -0.0363 C.ar 1 UNK 0.0801 9 C4 -2.4704 -0.7598 0.4136 C.3 1 UNK 0.0714 10 C5 -0.2264 -1.8325 0.3003 C.ar 1 UNK 0.0341 11 C6 3.2073 -0.7010 -0.1864 C.3 1 UNK -0.0188 12 C7 -1.0898 1.7760 -0.0173 C.2 1 UNK 0.1541 13 H 1.2499 2.5214 -0.3451 H 1 UNK 0.2922 14 H1 -4.0415 -0.9876 -0.7547 H 1 UNK 0.2098 15 H2 -2.7147 -1.5902 1.0425 H 1 UNK 0.0608 16 H3 -2.8304 0.1435 0.8601 H 1 UNK 0.0608 17 H4 -0.7129 -2.7298 0.4526 H 1 UNK 0.0833 18 H5 3.5474 -1.7125 -0.1081 H 1 UNK 0.0294 19 H6 3.6592 -0.1121 0.5842 H 1 UNK 0.0294 20 H7 3.4796 -0.3062 -1.1429 H 1 UNK 0.0294 21 H8 -2.0586 1.7482 -0.3718 H 1 UNK 0.1083 @BOND 1 1 7 1 2 2 9 1 3 3 12 2 4 4 8 ar 5 4 10 ar 6 5 6 ar 7 5 9 1 8 5 10 ar 9 6 7 ar 10 6 12 1 11 7 8 ar 12 8 11 1 13 1 13 1 14 2 14 1 15 9 15 1 16 9 16 1 17 10 17 1 18 11 18 1 19 11 19 1 20 11 20 1 21 12 21 1