@MOLECULE FDBD01124 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.5093 -2.1522 -0.0341 S.O2 1 UNK 0.0736 2 O 2.3819 -2.7871 0.9466 O.2 1 UNK -0.1499 3 O1 1.4753 -2.6828 -1.3915 O.2 1 UNK -0.1499 4 O2 -1.1711 0.1724 1.8797 O.3 1 UNK -0.4875 5 O3 -3.0361 1.6849 0.4896 O.3 1 UNK -0.4771 6 N -0.0874 -2.1200 0.6124 N.pl3 1 UNK -0.1963 7 N1 -1.4186 -1.6464 -1.2682 N.ar 1 UNK -0.2155 8 N2 2.9504 3.6116 -0.2782 N.pl3 1 UNK -0.3580 9 N3 -2.8932 0.2588 -1.3262 N.ar 1 UNK -0.1982 10 C 1.9321 -0.4598 -0.1058 C.ar 1 UNK 0.1087 11 C1 -1.0593 -1.2739 -0.0263 C.ar 1 UNK 0.1870 12 C2 2.5527 0.1508 0.9843 C.ar 1 UNK -0.0333 13 C3 1.6497 0.2819 -1.2530 C.ar 1 UNK -0.0333 14 C4 -1.5569 -0.1717 0.6289 C.ar 1 UNK 0.2234 15 C5 2.8904 1.5029 0.9272 C.ar 1 UNK -0.0392 16 C6 1.9876 1.6341 -1.3099 C.ar 1 UNK -0.0392 17 C7 2.6079 2.2445 -0.2198 C.ar 1 UNK 0.0247 18 C8 -2.4828 0.5675 -0.0787 C.ar 1 UNK 0.2626 19 C9 -2.3290 -0.8447 -1.8531 C.ar 1 UNK 0.1221 20 C10 -1.9196 -0.3707 2.9708 C.3 1 UNK 0.0792 21 C11 -3.9833 2.3999 -0.2948 C.3 1 UNK 0.0805 22 H -0.3275 -2.6650 1.3963 H 1 UNK 0.1754 23 H1 3.3882 4.0427 0.4910 H 1 UNK 0.1423 24 H2 2.7516 4.1347 -1.0882 H 1 UNK 0.1423 25 H3 2.7619 -0.3979 1.8329 H 1 UNK 0.0638 26 H4 1.1908 -0.1697 -2.0595 H 1 UNK 0.0638 27 H5 3.3493 1.9546 1.7337 H 1 UNK 0.0636 28 H6 1.7786 2.1829 -2.1585 H 1 UNK 0.0636 29 H7 -2.6260 -1.1036 -2.8069 H 1 UNK 0.1049 30 H8 -1.5095 -0.0193 3.8945 H 1 UNK 0.0660 31 H9 -1.8687 -1.4391 2.9415 H 1 UNK 0.0660 32 H10 -2.9405 -0.0600 2.8927 H 1 UNK 0.0660 33 H11 -4.3384 3.2448 0.2574 H 1 UNK 0.0660 34 H12 -4.8058 1.7584 -0.5332 H 1 UNK 0.0660 35 H13 -3.5181 2.7343 -1.1985 H 1 UNK 0.0660 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 10 1 5 4 14 1 6 4 20 1 7 5 18 1 8 5 21 1 9 6 11 1 10 7 11 ar 11 7 19 ar 12 8 17 1 13 9 18 ar 14 9 19 ar 15 10 12 ar 16 10 13 ar 17 11 14 ar 18 12 15 ar 19 13 16 ar 20 14 18 ar 21 15 17 ar 22 16 17 ar 23 6 22 1 24 8 23 1 25 8 24 1 26 12 25 1 27 13 26 1 28 15 27 1 29 16 28 1 30 19 29 1 31 20 30 1 32 20 31 1 33 20 32 1 34 21 33 1 35 21 34 1 36 21 35 1