@MOLECULE FDBD02813 51 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C -9.2691 2.2331 -4.5735 C.3 1 UNK 0.0804 2 O -9.4896 0.8234 -4.6507 O.3 1 UNK -0.4795 3 C1 -8.7957 0.0437 -3.7860 C.ar 1 UNK 0.2225 4 C2 -9.0276 -1.3260 -3.7311 C.ar 1 UNK 0.0616 5 C3 -8.2919 -2.0864 -2.8290 C.ar 1 UNK 0.2225 6 N -7.3968 -1.4833 -2.0535 N.ar 1 UNK -0.1789 7 C4 -7.2023 -0.1763 -2.1329 C.ar 1 UNK 0.2289 8 N1 -7.8808 0.5777 -2.9834 N.ar 1 UNK -0.1789 9 N2 -6.2581 0.4184 -1.3062 N.am 1 UNK -0.2369 10 C5 -5.9710 1.7280 -1.4441 C.2 1 UNK 0.3253 11 O1 -6.6024 2.4094 -2.2283 O.2 1 UNK -0.2508 12 N3 -4.9839 2.2822 -0.7127 N.am 1 UNK -0.1690 13 S -4.7127 3.9140 -0.7894 S.O2 1 UNK 0.0764 14 O2 -5.9779 4.5393 -0.6238 O.2 1 UNK -0.1498 15 O3 -3.5999 4.1760 0.0547 O.2 1 UNK -0.1498 16 C6 -4.1884 4.2791 -2.4315 C.ar 1 UNK 0.1228 17 C7 -4.9442 5.1132 -3.2293 C.ar 1 UNK -0.0298 18 C8 -4.5337 5.4013 -4.5186 C.ar 1 UNK -0.0300 19 C9 -3.3640 4.8553 -5.0175 C.ar 1 UNK -0.0564 20 C10 -2.5989 4.0198 -4.2308 C.ar 1 UNK -0.0456 21 C11 -3.0043 3.7294 -2.9264 C.ar 1 UNK 0.0854 22 C12 -2.1899 2.8354 -2.0779 C.2 1 UNK 0.3387 23 O4 -2.6001 2.4937 -0.9868 O.2 1 UNK -0.2451 24 O5 -0.9924 2.3992 -2.5143 O.3 1 UNK -0.4771 25 C13 -5.3645 6.3133 -5.3841 C.3 1 UNK 0.0421 26 N4 -4.9258 7.6984 -5.1959 N.3 1 UNK -0.1905 27 S1 -5.3901 8.8676 -6.2728 S.O2 1 UNK 0.0268 28 O6 -4.7685 10.0521 -5.7936 O.2 1 UNK -0.1585 29 O7 -5.0549 8.3268 -7.5434 O.2 1 UNK -0.1585 30 C14 -7.1909 8.9710 -6.0801 C.3 1 UNK 0.0705 31 O8 -8.4854 -3.4250 -2.7413 O.3 1 UNK -0.4795 32 C15 -7.6899 -4.1345 -1.7896 C.3 1 UNK 0.0804 33 H -9.8165 2.7309 -5.3738 H 1 UNK 0.0660 34 H1 -9.6183 2.6033 -3.6096 H 1 UNK 0.0660 35 H2 -8.2041 2.4406 -4.6781 H 1 UNK 0.0660 36 H3 -9.7621 -1.7885 -4.3738 H 1 UNK 0.0724 37 H4 -5.8052 -0.1087 -0.6294 H 1 UNK 0.1593 38 H5 -4.4323 1.7252 -0.1414 H 1 UNK 0.1781 39 H6 -5.8584 5.5421 -2.8464 H 1 UNK 0.0640 40 H7 -3.0497 5.0837 -6.0252 H 1 UNK 0.0621 41 H8 -1.6862 3.5944 -4.6213 H 1 UNK 0.0626 42 H9 -0.4631 1.8775 -1.8955 H 1 UNK 0.2954 43 H10 -5.2421 6.0324 -6.4302 H 1 UNK 0.0490 44 H11 -6.4140 6.2233 -5.1041 H 1 UNK 0.0490 45 H12 -4.3634 7.9306 -4.4405 H 1 UNK 0.1480 46 H13 -7.4312 9.2453 -5.0529 H 1 UNK 0.0479 47 H14 -7.5863 9.7259 -6.7598 H 1 UNK 0.0479 48 H15 -7.6373 8.0040 -6.3118 H 1 UNK 0.0479 49 H16 -6.6346 -4.0063 -2.0306 H 1 UNK 0.0660 50 H17 -7.8845 -3.7444 -0.7906 H 1 UNK 0.0660 51 H18 -7.9438 -5.1941 -1.8218 H 1 UNK 0.0660 @BOND 1 1 2 1 2 1 33 1 3 1 34 1 4 1 35 1 5 2 3 1 6 3 8 ar 7 3 4 ar 8 4 5 ar 9 4 36 1 10 5 6 ar 11 5 31 1 12 6 7 ar 13 7 8 ar 14 7 9 1 15 9 10 am 16 9 37 1 17 10 11 2 18 10 12 am 19 12 13 1 20 12 38 1 21 13 14 2 22 13 15 2 23 13 16 1 24 16 21 ar 25 16 17 ar 26 17 18 ar 27 17 39 1 28 18 19 ar 29 18 25 1 30 19 20 ar 31 19 40 1 32 20 21 ar 33 20 41 1 34 21 22 1 35 22 23 2 36 22 24 1 37 24 42 1 38 25 26 1 39 25 43 1 40 25 44 1 41 26 27 1 42 26 45 1 43 27 28 2 44 27 29 2 45 27 30 1 46 30 46 1 47 30 47 1 48 30 48 1 49 31 32 1 50 32 49 1 51 32 50 1 52 32 51 1