@MOLECULE FDBD00993 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.0013 2.7464 0.0009 S.O2 1 UNK 0.0251 2 S1 6.8653 -2.2470 -0.1119 S.3 1 UNK -0.2149 3 S2 -6.8721 -2.2413 0.1114 S.3 1 UNK -0.2149 4 O -0.1727 3.4778 -1.2465 O.2 1 UNK -0.1643 5 O1 0.2114 3.4762 1.2442 O.2 1 UNK -0.1643 6 O2 7.2877 -2.7718 1.3489 O.co2 1 UNK -0.4156 7 O3 -7.2950 -2.7650 -1.3497 O.co2 1 UNK -0.4156 8 O4 6.2143 -3.3910 -0.8315 O.2 1 UNK -0.4879 9 O5 -6.2221 -3.3862 0.8303 O.2 1 UNK -0.4879 10 N 4.7871 -0.7313 -0.5794 N.pl3 1 UNK -0.3282 11 N1 -4.7927 -0.7276 0.5796 N.pl3 1 UNK -0.3282 12 C 1.4264 1.7100 -0.1719 C.ar 1 UNK 0.0937 13 C1 -1.4084 1.7268 0.1707 C.ar 1 UNK 0.0937 14 C2 2.1116 1.3175 0.9619 C.ar 1 UNK -0.0347 15 C3 -2.1154 1.3198 -0.9607 C.ar 1 UNK -0.0347 16 C4 1.8216 1.3184 -1.4366 C.ar 1 UNK -0.0347 17 C5 -1.8255 1.3193 1.4379 C.ar 1 UNK -0.0347 18 C6 3.6517 0.0940 -0.4415 C.ar 1 UNK 0.0283 19 C7 -3.6566 0.0968 0.4421 C.ar 1 UNK 0.0283 20 C8 3.2350 0.5016 0.8259 C.ar 1 UNK -0.0390 21 C9 -3.2395 0.5048 -0.8250 C.ar 1 UNK -0.0390 22 C10 2.9450 0.5029 -1.5727 C.ar 1 UNK -0.0390 23 C11 -2.9496 0.5045 1.5735 C.ar 1 UNK -0.0390 24 C12 5.5491 -1.1802 0.5480 C.3 1 UNK 0.0879 25 C13 -5.5551 -1.1753 -0.5480 C.3 1 UNK 0.0879 26 H 5.0659 -1.0087 -1.4819 H 1 UNK 0.1475 27 H1 -5.0717 -1.0052 1.4820 H 1 UNK 0.1475 28 H2 1.7969 1.6235 1.8959 H 1 UNK 0.0637 29 H3 -1.8069 1.6216 -1.8982 H 1 UNK 0.0637 30 H4 1.2933 1.6248 -2.2685 H 1 UNK 0.0637 31 H5 -1.3025 1.6206 2.2750 H 1 UNK 0.0637 32 H6 3.7578 0.1996 1.6629 H 1 UNK 0.0637 33 H7 -3.7626 0.2037 -1.6621 H 1 UNK 0.0637 34 H8 3.2535 0.2019 -2.5104 H 1 UNK 0.0637 35 H9 -3.2583 0.2032 2.5110 H 1 UNK 0.0637 36 H10 5.9741 -0.3445 1.0636 H 1 UNK 0.0669 37 H11 4.9341 -1.7100 1.2451 H 1 UNK 0.0669 38 H12 -5.9794 -0.3389 -1.0631 H 1 UNK 0.0669 39 H13 -4.9405 -1.7053 -1.2454 H 1 UNK 0.0669 @BOND 1 1 4 2 2 1 5 2 3 1 12 1 4 1 13 1 5 2 6 1 6 2 8 2 7 2 24 1 8 3 7 1 9 3 9 2 10 3 25 1 11 10 18 1 12 10 24 1 13 11 19 1 14 11 25 1 15 12 14 ar 16 12 16 ar 17 13 15 ar 18 13 17 ar 19 14 20 ar 20 15 21 ar 21 16 22 ar 22 17 23 ar 23 18 20 ar 24 18 22 ar 25 19 21 ar 26 19 23 ar 27 10 26 1 28 11 27 1 29 14 28 1 30 15 29 1 31 16 30 1 32 17 31 1 33 20 32 1 34 21 33 1 35 22 34 1 36 23 35 1 37 24 36 1 38 24 37 1 39 25 38 1 40 25 39 1