@MOLECULE FDBD01040 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.3779 1.9156 0.2123 S.O2 1 UNK 0.0678 2 S1 -2.4299 1.2981 -0.5663 S.2 1 UNK -0.0483 3 S2 -4.8382 -0.3542 -0.7189 S.O2 1 UNK 0.0623 4 O 0.0031 2.9006 1.2068 O.2 1 UNK -0.1523 5 O1 0.6748 2.2729 -1.1591 O.2 1 UNK -0.1523 6 O2 4.9963 0.2262 -1.6965 O.3 1 UNK -0.3829 7 O3 -4.9839 0.5548 -1.8501 O.2 1 UNK -0.1527 8 O4 -5.0573 -1.7855 -0.8849 O.2 1 UNK -0.1527 9 N 1.6264 0.8905 0.8366 N.3 1 UNK -0.1703 10 N1 0.8178 -1.9944 0.4003 N.4 1 UNK 0.2333 11 N2 -5.8634 0.2080 0.5397 N.3 1 UNK -0.2030 12 C 0.1690 -1.0986 1.3614 C.3 1 UNK 0.0203 13 C1 1.1831 -0.0653 1.9140 C.3 1 UNK 0.0677 14 C2 -1.0195 -0.4696 0.6789 C.ar 1 UNK 0.0368 15 C3 -0.9828 0.8035 0.1521 C.ar 1 UNK 0.1530 16 C4 2.9153 1.5523 1.1476 C.3 1 UNK 0.0228 17 C5 -2.3080 -1.0543 0.4741 C.ar 1 UNK -0.0176 18 C6 3.8244 1.5418 -0.0736 C.3 1 UNK -0.0150 19 C7 -3.1679 -0.2049 -0.1928 C.ar 1 UNK 0.1444 20 C8 1.9832 -2.6285 0.9953 C.3 1 UNK -0.0360 21 C9 4.1325 0.1345 -0.5713 C.3 1 UNK 0.0485 22 C10 2.6451 -3.5866 0.0196 C.3 1 UNK -0.0245 23 C11 5.3020 -1.0570 -2.2251 C.3 1 UNK 0.0364 24 H 1.1094 -1.4559 -0.4154 H 1 UNK 0.2020 25 H1 0.1538 -2.7188 0.1269 H 1 UNK 0.2020 26 H2 -6.8371 0.1267 0.2469 H 1 UNK 0.1443 27 H3 -5.6495 1.1846 0.7418 H 1 UNK 0.1443 28 H4 -0.1827 -1.6363 2.2170 H 1 UNK 0.0918 29 H5 0.7215 0.4889 2.7044 H 1 UNK 0.0503 30 H6 2.0417 -0.5919 2.2751 H 1 UNK 0.0503 31 H7 3.3953 1.0307 1.9491 H 1 UNK 0.0445 32 H8 2.7257 2.5665 1.4310 H 1 UNK 0.0445 33 H9 -2.5657 -2.0028 0.7888 H 1 UNK 0.0648 34 H10 4.7453 2.0228 0.1822 H 1 UNK 0.0300 35 H11 3.3119 2.0556 -0.8599 H 1 UNK 0.0300 36 H12 1.6789 -3.1715 1.8656 H 1 UNK 0.0811 37 H13 2.6887 -1.8667 1.2536 H 1 UNK 0.0811 38 H14 4.6112 -0.4249 0.2051 H 1 UNK 0.0560 39 H15 3.2251 -0.3602 -0.8485 H 1 UNK 0.0560 40 H16 1.9524 -4.3563 -0.2498 H 1 UNK 0.0281 41 H17 3.5055 -4.0261 0.4795 H 1 UNK 0.0281 42 H18 2.9436 -3.0522 -0.8580 H 1 UNK 0.0281 43 H19 5.9521 -0.9498 -3.0682 H 1 UNK 0.0523 44 H20 4.3982 -1.5413 -2.5309 H 1 UNK 0.0523 45 H21 5.7858 -1.6460 -1.4742 H 1 UNK 0.0523 @BOND 1 1 4 2 2 1 5 2 3 1 9 1 4 1 15 1 5 2 15 ar 6 2 19 ar 7 3 7 2 8 3 8 2 9 3 11 1 10 3 19 1 11 6 21 1 12 6 23 1 13 9 13 1 14 9 16 1 15 10 12 1 16 10 20 1 17 12 13 1 18 12 14 1 19 14 15 ar 20 14 17 ar 21 16 18 1 22 17 19 ar 23 18 21 1 24 20 22 1 25 10 24 1 26 10 25 1 27 11 26 1 28 11 27 1 29 12 28 1 30 13 29 1 31 13 30 1 32 16 31 1 33 16 32 1 34 17 33 1 35 18 34 1 36 18 35 1 37 20 36 1 38 20 37 1 39 21 38 1 40 21 39 1 41 22 40 1 42 22 41 1 43 22 42 1 44 23 43 1 45 23 44 1 46 23 45 1