@MOLECULE FDBD00421 35 37 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.7063 -1.7201 0.2766 S.O2 1 UNK 0.0753 2 O 1.3103 -1.7610 1.6713 O.2 1 UNK -0.1498 3 O1 2.1062 -2.9244 -0.4250 O.2 1 UNK -0.1498 4 O2 1.1364 2.5400 0.6207 O.2 1 UNK -0.2852 5 O3 -1.4385 2.0355 -0.4365 O.co2 1 UNK -0.8163 6 N 0.5089 -0.8888 -0.6500 N.pl3 1 UNK -0.2021 7 N1 -2.0111 -0.1999 0.0338 N.pl3 1 UNK -0.3161 8 N2 -4.0865 -1.3224 0.3387 N.ar 1 UNK -0.2402 9 C 3.0287 -0.5675 0.1765 C.ar 1 UNK 0.1195 10 C1 2.6987 0.7922 0.1308 C.ar 1 UNK 0.0502 11 C2 0.2525 0.4512 -0.1835 C.2 1 UNK 0.0990 12 C3 1.2852 1.2378 0.1813 C.2 1 UNK 0.2105 13 C4 4.3443 -1.0253 0.1256 C.ar 1 UNK -0.0344 14 C5 0.5941 -1.0274 -2.1331 C.3 1 UNK 0.0237 15 C6 3.7575 1.7078 0.0476 C.ar 1 UNK -0.0490 16 C7 -1.1542 0.8621 -0.2122 C.2 1 UNK -0.0528 17 C8 5.3762 -0.0963 0.0390 C.ar 1 UNK -0.0599 18 C9 5.0847 1.2666 0.0010 C.ar 1 UNK -0.0610 19 C10 -3.4262 -0.1709 0.0824 C.ar 1 UNK 0.1217 20 C11 -4.0483 1.0475 -0.1378 C.ar 1 UNK -0.0216 21 C12 -5.4374 1.0865 -0.0918 C.ar 1 UNK -0.0571 22 C13 -5.4358 -1.2456 0.3755 C.ar 1 UNK 0.0297 23 C14 -6.1518 -0.0776 0.1692 C.ar 1 UNK -0.0435 24 H -1.5873 -1.0742 0.1929 H 1 UNK 0.1520 25 H1 4.5494 -2.0364 0.1517 H 1 UNK 0.0637 26 H2 0.7854 -2.0495 -2.3854 H 1 UNK 0.0446 27 H3 1.3886 -0.4138 -2.5036 H 1 UNK 0.0446 28 H4 -0.3306 -0.7183 -2.5739 H 1 UNK 0.0446 29 H5 3.5555 2.7195 0.0204 H 1 UNK 0.0625 30 H6 6.3568 -0.4158 0.0029 H 1 UNK 0.0618 31 H7 5.8520 1.9539 -0.0618 H 1 UNK 0.0618 32 H8 -3.4980 1.8991 -0.3299 H 1 UNK 0.0652 33 H9 -5.9362 1.9758 -0.2507 H 1 UNK 0.0619 34 H10 -5.9650 -2.1102 0.5692 H 1 UNK 0.0830 35 H11 -7.1831 -0.0717 0.2080 H 1 UNK 0.0633 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 9 1 5 4 12 2 6 5 16 0 7 6 11 1 8 6 14 1 9 7 16 1 10 7 19 1 11 8 19 ar 12 8 22 ar 13 9 10 ar 14 9 13 ar 15 10 12 1 16 10 15 ar 17 11 12 0 18 11 16 2 19 13 17 ar 20 15 18 ar 21 17 18 ar 22 19 20 ar 23 20 21 ar 24 21 23 ar 25 22 23 ar 26 7 24 1 27 13 25 1 28 14 26 1 29 14 27 1 30 14 28 1 31 15 29 1 32 17 30 1 33 18 31 1 34 20 32 1 35 21 33 1 36 22 34 1 37 23 35 1