@MOLECULE FDBD00869 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.2645 -2.2031 -0.0845 S.O2 1 UNK 0.0736 2 O -2.6416 0.9657 -0.9788 O.2 1 UNK -0.3581 3 O1 0.9463 -3.2030 0.7288 O.2 1 UNK -0.1499 4 O2 -0.0563 -2.5245 -1.4698 O.2 1 UNK -0.1499 5 N -1.1693 -1.7273 0.7438 N.pl3 1 UNK -0.1968 6 N1 -1.9278 -0.2265 -0.9777 N.ar 1 UNK -0.0617 7 N2 3.5485 2.7532 0.0086 N.pl3 1 UNK -0.3580 8 C 1.2286 -0.7477 -0.0572 C.ar 1 UNK 0.1087 9 C1 2.1047 -0.5114 1.0022 C.ar 1 UNK -0.0333 10 C2 1.1228 0.1788 -1.0946 C.ar 1 UNK -0.0333 11 C3 -1.8451 -0.5383 0.2987 C.ar 1 UNK 0.1807 12 C4 2.7690 1.5778 -0.0129 C.ar 1 UNK 0.0247 13 C5 2.8748 0.6514 1.0243 C.ar 1 UNK -0.0392 14 C6 1.8930 1.3415 -1.0724 C.ar 1 UNK -0.0392 15 C7 -2.4539 0.3608 1.1589 C.ar 1 UNK 0.0232 16 C8 -2.9493 1.3051 0.2991 C.ar 1 UNK 0.1361 17 C9 -3.7089 2.5476 0.4835 C.3 1 UNK -0.0036 18 H -1.5160 -2.2540 1.4999 H 1 UNK 0.1753 19 H1 4.1668 2.9202 0.7563 H 1 UNK 0.1423 20 H2 3.4742 3.4066 -0.7241 H 1 UNK 0.1423 21 H3 2.1831 -1.1969 1.7696 H 1 UNK 0.0638 22 H4 0.4747 0.0040 -1.8785 H 1 UNK 0.0638 23 H5 3.5229 0.8262 1.8082 H 1 UNK 0.0636 24 H6 1.8147 2.0270 -1.8399 H 1 UNK 0.0636 25 H7 -2.5181 0.3276 2.1884 H 1 UNK 0.0688 26 H8 -3.8986 2.9945 -0.4700 H 1 UNK 0.0309 27 H9 -3.1433 3.2249 1.0887 H 1 UNK 0.0309 28 H10 -4.6385 2.3290 0.9662 H 1 UNK 0.0309 @BOND 1 1 3 2 2 1 4 2 3 1 5 1 4 1 8 1 5 2 6 ar 6 2 16 ar 7 5 11 1 8 6 11 ar 9 7 12 1 10 8 9 ar 11 8 10 ar 12 9 13 ar 13 10 14 ar 14 11 15 ar 15 12 13 ar 16 12 14 ar 17 15 16 ar 18 16 17 1 19 5 18 1 20 7 19 1 21 7 20 1 22 9 21 1 23 10 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