@MOLECULE FDBD00991 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.3080 -1.0837 0.0327 S.3 1 UNK -0.1378 2 P 3.9946 0.1564 0.0648 P.3 1 UNK -0.0917 3 O 4.0658 1.0009 -1.3187 O.co2 1 UNK -0.5899 4 O1 5.3230 -0.7679 -0.0522 O.co2 1 UNK -0.5899 5 O2 4.0058 1.0370 1.2848 O.2 1 UNK -0.6500 6 N -1.5448 0.1874 -0.0105 N.4 1 UNK 0.2277 7 N1 -6.4543 0.6198 -0.0223 N.4 1 UNK 0.2187 8 C -2.8085 -0.5394 0.0030 C.3 1 UNK -0.0287 9 C1 -4.0125 0.4049 -0.0172 C.3 1 UNK 0.0275 10 C2 -0.4160 -0.7325 -0.0016 C.3 1 UNK -0.0242 11 C3 0.8902 0.0516 0.0219 C.3 1 UNK 0.0372 12 C4 -5.3514 -0.3343 0.0154 C.3 1 UNK -0.0305 13 H -1.4947 0.7854 0.8143 H 1 UNK 0.2014 14 H1 -1.5009 0.7488 -0.8610 H 1 UNK 0.2014 15 H2 -7.3408 0.1158 -0.0001 H 1 UNK 0.1994 16 H3 -6.3979 1.1710 -0.8787 H 1 UNK 0.1994 17 H4 -6.3953 1.2397 0.7855 H 1 UNK 0.1994 18 H5 -2.8535 -1.1378 0.8889 H 1 UNK 0.0816 19 H6 -2.8500 -1.1471 -0.8767 H 1 UNK 0.0816 20 H7 -3.9694 0.9935 -0.9097 H 1 UNK 0.0369 21 H8 -3.9594 1.0107 0.8632 H 1 UNK 0.0369 22 H9 -0.4482 -1.3424 -0.8802 H 1 UNK 0.0822 23 H10 -0.4719 -1.3511 0.8697 H 1 UNK 0.0822 24 H11 0.9435 0.6744 -0.8465 H 1 UNK 0.0432 25 H12 0.9192 0.6525 0.9068 H 1 UNK 0.0432 26 H13 -5.4171 -0.9842 -0.8321 H 1 UNK 0.0815 27 H14 -5.4136 -0.9046 0.9186 H 1 UNK 0.0815 @BOND 1 1 2 1 2 1 11 1 3 2 3 1 4 2 4 1 5 2 5 2 6 6 8 1 7 6 10 1 8 7 12 1 9 8 9 1 10 9 12 1 11 10 11 1 12 6 13 1 13 6 14 1 14 7 15 1 15 7 16 1 16 7 17 1 17 8 18 1 18 8 19 1 19 9 20 1 20 9 21 1 21 10 22 1 22 10 23 1 23 11 24 1 24 11 25 1 25 12 26 1 26 12 27 1