@MOLECULE FDBD02197 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4608 0.0101 C.3 1 UNK 0.0141 2 N 0.0021 -0.0041 0.0020 N.am 1 UNK -0.2099 3 C1 0.0224 -0.6841 1.1654 C.2 1 UNK 0.2343 4 O 0.0388 -1.8963 1.1588 O.2 1 UNK -0.2742 5 C2 0.0246 0.0623 2.4746 C.3 1 UNK 0.0773 6 S 0.0537 -1.1238 3.8468 S.3 1 UNK -0.0918 7 P 2.0586 -1.8129 3.8390 P.3 1 UNK 0.0996 8 S1 2.4356 -2.6085 2.1966 S.2 1 UNK -0.0263 9 C3 3.1860 -0.4053 4.1055 C.3 1 UNK -0.0068 10 O1 2.2598 -2.8920 5.0168 O.3 1 UNK -0.3466 11 C4 3.5062 -3.5429 5.2715 C.3 1 UNK 0.0421 12 C5 0.0001 -0.6716 -1.1688 C.2 1 UNK 0.4087 13 O2 0.0165 -1.8861 -1.1755 O.2 1 UNK -0.2258 14 O3 -0.0202 0.0075 -2.3306 O.3 1 UNK -0.4533 15 C6 -0.0211 -0.7767 -3.5526 C.3 1 UNK 0.0833 16 H -0.0130 1.8120 1.0208 H 1 UNK 0.0434 17 H1 -0.9010 1.8082 -0.4840 H 1 UNK 0.0434 18 H2 0.8461 1.8321 -0.5006 H 1 UNK 0.0434 19 H3 -0.8567 0.6652 2.5429 H 1 UNK 0.0475 20 H4 0.8903 0.6890 2.5264 H 1 UNK 0.0475 21 H5 3.0523 0.3119 3.3228 H 1 UNK 0.0311 22 H6 4.1979 -0.7531 4.1016 H 1 UNK 0.0311 23 H7 2.9695 0.0515 5.0486 H 1 UNK 0.0311 24 H8 3.3961 -4.2132 6.0983 H 1 UNK 0.0527 25 H9 4.2505 -2.8100 5.5032 H 1 UNK 0.0527 26 H10 3.8052 -4.0930 4.4038 H 1 UNK 0.0527 27 H11 -0.0381 -0.1204 -4.3975 H 1 UNK 0.0661 28 H12 -0.8865 -1.4057 -3.5721 H 1 UNK 0.0661 29 H13 0.8606 -1.3819 -3.5887 H 1 UNK 0.0661 @BOND 1 1 2 1 2 2 3 am 3 2 12 am 4 3 4 2 5 3 5 1 6 5 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 7 10 1 11 10 11 1 12 12 13 2 13 12 14 1 14 14 15 1 15 1 16 1 16 1 17 1 17 1 18 1 18 5 19 1 19 5 20 1 20 9 21 1 21 9 22 1 22 9 23 1 23 11 24 1 24 11 25 1 25 11 26 1 26 15 27 1 27 15 28 1 28 15 29 1