@MOLECULE FDBD01516 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.3144 1.0098 0.0686 S.O2 1 UNK 0.0757 2 O 2.6770 0.7712 0.0068 O.2 1 UNK -0.4286 3 O1 -0.2325 2.1312 -0.8590 O.2 1 UNK -0.1499 4 O2 0.0755 1.1998 1.4603 O.2 1 UNK -0.1499 5 N 0.5452 -0.3216 -0.5979 N.pl3 1 UNK -0.1687 6 N1 2.6909 -1.4458 -0.4402 N.ar 1 UNK -0.1993 7 N2 -5.8826 -1.0751 0.0197 N.pl3 1 UNK -0.3580 8 C -1.9492 0.3972 0.0544 C.ar 1 UNK 0.1087 9 C1 2.0017 -0.3449 -0.3409 C.ar 1 UNK 0.3076 10 C2 3.9544 0.3192 0.1449 C.ar 1 UNK 0.1268 11 C3 3.9583 -1.0263 -0.1270 C.ar 1 UNK 0.0811 12 C4 -2.4429 -0.2994 1.1573 C.ar 1 UNK -0.0333 13 C5 -2.7618 0.6047 -1.0602 C.ar 1 UNK -0.0333 14 C6 -3.7492 -0.7886 1.1458 C.ar 1 UNK -0.0392 15 C7 -4.0681 0.1157 -1.0717 C.ar 1 UNK -0.0392 16 C8 -4.5617 -0.5810 0.0313 C.ar 1 UNK 0.0247 17 C9 4.9735 1.3031 0.5249 C.3 1 UNK -0.0045 18 C10 5.0858 -1.9691 -0.1170 C.3 1 UNK -0.0190 19 H 0.0955 -1.0256 -1.1189 H 1 UNK 0.1783 20 H1 -6.2311 -1.5668 0.7982 H 1 UNK 0.1423 21 H2 -6.4562 -0.9283 -0.7669 H 1 UNK 0.1423 22 H3 -1.8417 -0.4529 1.9819 H 1 UNK 0.0638 23 H4 -2.3965 1.1200 -1.8763 H 1 UNK 0.0638 24 H5 -4.1144 -1.3041 1.9618 H 1 UNK 0.0636 25 H6 -4.6694 0.2694 -1.8963 H 1 UNK 0.0636 26 H7 4.5167 2.2640 0.6386 H 1 UNK 0.0308 27 H8 5.7232 1.3525 -0.2369 H 1 UNK 0.0308 28 H9 5.4241 1.0107 1.4503 H 1 UNK 0.0308 29 H10 4.7360 -2.9462 -0.3773 H 1 UNK 0.0294 30 H11 5.5207 -1.9946 0.8603 H 1 UNK 0.0294 31 H12 5.8215 -1.6528 -0.8267 H 1 UNK 0.0294 @BOND 1 1 3 2 2 1 4 2 3 1 5 1 4 1 8 1 5 2 9 ar 6 2 10 ar 7 5 9 1 8 6 9 ar 9 6 11 ar 10 7 16 1 11 8 12 ar 12 8 13 ar 13 10 11 ar 14 10 17 1 15 11 18 1 16 12 14 ar 17 13 15 ar 18 14 16 ar 19 15 16 ar 20 5 19 1 21 7 20 1 22 7 21 1 23 12 22 1 24 13 23 1 25 14 24 1 26 15 25 1 27 17 26 1 28 17 27 1 29 17 28 1 30 18 29 1 31 18 30 1 32 18 31 1