@MOLECULE FDBD01235 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.6325 2.2834 0.1558 S.O2 1 UNK 0.0746 2 O -1.4523 3.1825 0.9595 O.2 1 UNK -0.1499 3 O1 -0.1471 2.7447 -1.1392 O.2 1 UNK -0.1499 4 N 0.6989 1.7680 1.1202 N.pl3 1 UNK -0.1836 5 N1 1.3895 -0.4700 1.4030 N.ar 1 UNK -0.2185 6 N2 2.1890 0.8394 -0.4554 N.ar 1 UNK -0.2185 7 N3 -3.7069 -2.7432 -0.6435 N.pl3 1 UNK -0.3580 8 C -1.5349 0.8074 -0.0789 C.ar 1 UNK 0.1087 9 C1 -2.5316 0.4476 0.8285 C.ar 1 UNK -0.0333 10 C2 -1.2595 -0.0122 -1.1736 C.ar 1 UNK -0.0333 11 C3 1.4722 0.6454 0.6619 C.ar 1 UNK 0.2352 12 C4 -2.9772 -1.5511 -0.4533 C.ar 1 UNK 0.0247 13 C5 -3.2526 -0.7317 0.6412 C.ar 1 UNK -0.0392 14 C6 -1.9807 -1.1915 -1.3607 C.ar 1 UNK -0.0392 15 C7 2.1268 -1.5028 0.9446 C.ar 1 UNK 0.0436 16 C8 2.9017 -0.2336 -0.8567 C.ar 1 UNK 0.0436 17 C9 2.9095 -1.4418 -0.1902 C.ar 1 UNK -0.0194 18 C10 2.0709 -2.7684 1.7324 C.3 1 UNK -0.0222 19 C11 3.7169 -0.0720 -2.0956 C.3 1 UNK -0.0222 20 H 0.9238 2.2287 1.9607 H 1 UNK 0.1767 21 H1 -4.4103 -2.9973 -0.0032 H 1 UNK 0.1423 22 H2 -3.5128 -3.3211 -1.4165 H 1 UNK 0.1423 23 H3 -2.7355 1.0539 1.6383 H 1 UNK 0.0638 24 H4 -0.5223 0.2539 -1.8450 H 1 UNK 0.0638 25 H5 -3.9898 -0.9979 1.3125 H 1 UNK 0.0636 26 H6 -1.7770 -1.7979 -2.1705 H 1 UNK 0.0636 27 H7 3.4645 -2.2473 -0.5190 H 1 UNK 0.0653 28 H8 1.4212 -2.6372 2.5724 H 1 UNK 0.0293 29 H9 3.0528 -3.0180 2.0765 H 1 UNK 0.0293 30 H10 1.6985 -3.5577 1.1134 H 1 UNK 0.0293 31 H11 3.5930 0.9199 -2.4772 H 1 UNK 0.0293 32 H12 3.3936 -0.7797 -2.8301 H 1 UNK 0.0293 33 H13 4.7488 -0.2403 -1.8680 H 1 UNK 0.0293 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 8 1 5 4 11 1 6 5 11 ar 7 5 15 ar 8 6 11 ar 9 6 16 ar 10 7 12 1 11 8 9 ar 12 8 10 ar 13 9 13 ar 14 10 14 ar 15 12 13 ar 16 12 14 ar 17 15 17 ar 18 15 18 1 19 16 17 ar 20 16 19 1 21 4 20 1 22 7 21 1 23 7 22 1 24 9 23 1 25 10 24 1 26 13 25 1 27 14 26 1 28 17 27 1 29 18 28 1 30 18 29 1 31 18 30 1 32 19 31 1 33 19 32 1 34 19 33 1