@MOLECULE FDBD03190 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0167 1.3788 0.0096 C.3 1 UNK -0.0420 2 C1 1.1944 2.0588 0.0017 C.3 1 UNK -0.0075 3 C2 2.3741 1.3408 -0.0134 C.3 1 UNK 0.0440 4 N 2.3633 0.0210 -0.0208 N.4 1 UNK 0.4751 5 O 3.5935 -0.6799 -0.0363 O.3 1 UNK -0.2915 6 C3 1.2277 -0.6646 -0.0137 C.3 1 UNK 0.1109 7 C4 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0061 8 S 1.2706 -2.4260 -0.0241 S.3 1 UNK -0.0298 9 S1 1.3013 -2.8984 1.9704 S.3 1 UNK -0.0298 10 C5 -0.4057 -2.8860 2.4070 C.3 1 UNK 0.1109 11 C6 -0.9964 -1.7054 2.8496 C.3 1 UNK 0.0061 12 C7 -2.3371 -1.7102 3.1889 C.3 1 UNK -0.0420 13 C8 -3.0463 -2.8990 3.0744 C.3 1 UNK -0.0075 14 C9 -2.3979 -4.0340 2.6285 C.3 1 UNK 0.0440 15 N1 -1.1185 -4.0002 2.3061 N.4 1 UNK 0.4751 16 O1 -0.4887 -5.1846 1.8525 O.3 1 UNK -0.2915 17 H -0.5436 1.6825 0.8900 H 1 UNK 0.0269 18 H1 -0.4691 1.6394 -0.9244 H 1 UNK 0.0269 19 H2 1.2136 2.6718 0.8785 H 1 UNK 0.0318 20 H3 1.1942 2.5644 -0.9413 H 1 UNK 0.0318 21 H4 2.9220 1.6363 0.8569 H 1 UNK 0.0864 22 H5 2.7844 1.5796 -0.9723 H 1 UNK 0.0864 23 H6 4.3271 -0.0453 -0.0399 H 1 UNK 0.2749 24 H7 1.2064 0.4052 -0.0164 H 1 UNK 0.1033 25 H8 -0.5348 -0.3197 -0.8681 H 1 UNK 0.0331 26 H9 -0.4197 -0.2706 0.9486 H 1 UNK 0.0331 27 H10 -1.2253 -2.9943 3.0863 H 1 UNK 0.1033 28 H11 -0.8732 -0.9824 2.0705 H 1 UNK 0.0331 29 H12 -0.4993 -1.5023 3.7751 H 1 UNK 0.0331 30 H13 -2.8236 -0.9909 2.5637 H 1 UNK 0.0269 31 H14 -2.3420 -1.5028 4.2386 H 1 UNK 0.0269 32 H15 -3.8550 -2.7158 2.3981 H 1 UNK 0.0318 33 H16 -3.3060 -3.1367 4.0848 H 1 UNK 0.0318 34 H17 -2.9235 -4.3626 1.7563 H 1 UNK 0.0864 35 H18 -2.4081 -4.6669 3.4912 H 1 UNK 0.0864 36 H19 0.4434 -5.0006 1.6568 H 1 UNK 0.2749 @BOND 1 1 7 1 2 1 2 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 6 1 7 6 7 1 8 6 8 1 9 8 9 1 10 9 10 1 11 10 15 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 1 17 1 19 1 18 1 20 2 19 1 21 2 20 1 22 3 21 1 23 3 22 1 24 5 23 1 25 6 24 1 26 7 25 1 27 7 26 1 28 10 27 1 29 11 28 1 30 11 29 1 31 12 30 1 32 12 31 1 33 13 32 1 34 13 33 1 35 14 34 1 36 14 35 1 37 16 36 1