@MOLECULE FDBD02908 50 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0594 -0.3922 -2.9947 C.3 1 UNK -0.0281 2 C1 0.7974 0.8622 -2.8126 C.3 1 UNK 0.0946 3 C2 -0.0482 2.1039 -3.1027 C.3 1 UNK -0.0281 4 O 1.2805 0.9182 -1.4689 O.3 1 UNK -0.4894 5 C3 2.4163 0.2293 -1.1936 C.ar 1 UNK 0.1212 6 C4 2.9975 0.3264 0.0662 C.ar 1 UNK -0.0192 7 C5 4.1411 -0.3639 0.3513 C.ar 1 UNK -0.0475 8 C6 4.7328 -1.1732 -0.6264 C.ar 1 UNK 0.0227 9 C7 4.1480 -1.2713 -1.8951 C.ar 1 UNK -0.0365 10 C8 4.7781 -2.1399 -2.9531 C.3 1 UNK -0.0389 11 C9 2.9924 -0.5759 -2.1703 C.ar 1 UNK -0.0163 12 C10 5.9626 -1.9161 -0.3225 C.2 1 UNK 0.1860 13 O1 6.4706 -2.6205 -1.1693 O.2 1 UNK -0.2898 14 C11 6.5935 -1.8032 1.0414 C.3 1 UNK 0.0919 15 C12 7.6609 -2.8878 1.2009 C.3 1 UNK -0.0367 16 C13 7.2405 -0.4249 1.1915 C.3 1 UNK -0.0367 17 N 5.5654 -1.9748 2.0708 N.am 1 UNK -0.2987 18 C14 5.8981 -1.8998 3.3746 C.2 1 UNK 0.2517 19 O2 7.0527 -1.6895 3.6969 O.2 1 UNK -0.2696 20 C15 4.8693 -2.0715 4.4046 C.ar 1 UNK 0.0767 21 C16 5.0803 -2.0122 5.7534 C.ar 1 UNK -0.0312 22 C17 6.4312 -1.7558 6.3702 C.3 1 UNK -0.0385 23 C18 3.9375 -2.2092 6.4917 C.ar 1 UNK -0.0511 24 C19 2.8281 -2.4226 5.7744 C.ar 1 UNK -0.0233 25 S 3.1647 -2.3793 4.1024 S.2 1 UNK -0.0918 26 H 0.5430 -1.2768 -2.7880 H 1 UNK 0.0265 27 H1 -0.9037 -0.3587 -2.3061 H 1 UNK 0.0265 28 H2 -0.4279 -0.4349 -4.0196 H 1 UNK 0.0265 29 H3 1.6417 0.8286 -3.5012 H 1 UNK 0.0727 30 H4 -0.8925 2.1375 -2.4141 H 1 UNK 0.0265 31 H5 0.5622 2.9976 -2.9729 H 1 UNK 0.0265 32 H6 -0.4167 2.0612 -4.1276 H 1 UNK 0.0265 33 H7 2.5431 0.9502 0.8217 H 1 UNK 0.0654 34 H8 4.5892 -0.2853 1.3308 H 1 UNK 0.0626 35 H9 4.4665 -3.1742 -2.8072 H 1 UNK 0.0278 36 H10 4.4601 -1.8003 -3.9389 H 1 UNK 0.0278 37 H11 5.8636 -2.0736 -2.8787 H 1 UNK 0.0278 38 H12 2.5378 -0.6490 -3.1473 H 1 UNK 0.0657 39 H13 8.4259 -2.7601 0.4350 H 1 UNK 0.0254 40 H14 8.1172 -2.8062 2.1874 H 1 UNK 0.0254 41 H15 7.2000 -3.8697 1.0939 H 1 UNK 0.0254 42 H16 6.4801 0.3477 1.0779 H 1 UNK 0.0254 43 H17 7.6969 -0.3433 2.1781 H 1 UNK 0.0254 44 H18 8.0055 -0.2973 0.4257 H 1 UNK 0.0254 45 H19 4.6451 -2.1424 1.8139 H 1 UNK 0.1500 46 H20 6.5722 -0.6832 6.5033 H 1 UNK 0.0278 47 H21 6.4887 -2.2528 7.3386 H 1 UNK 0.0278 48 H22 7.2098 -2.1460 5.7148 H 1 UNK 0.0278 49 H23 3.9353 -2.1932 7.5715 H 1 UNK 0.0626 50 H24 1.8495 -2.5950 6.1975 H 1 UNK 0.0694 @BOND 1 1 2 1 2 1 26 1 3 1 27 1 4 1 28 1 5 2 3 1 6 2 4 1 7 2 29 1 8 3 30 1 9 3 31 1 10 3 32 1 11 4 5 1 12 5 11 ar 13 5 6 ar 14 6 7 ar 15 6 33 1 16 7 8 ar 17 7 34 1 18 8 9 ar 19 8 12 1 20 9 10 1 21 9 11 ar 22 10 35 1 23 10 36 1 24 10 37 1 25 11 38 1 26 12 13 2 27 12 14 1 28 14 15 1 29 14 16 1 30 14 17 1 31 15 39 1 32 15 40 1 33 15 41 1 34 16 42 1 35 16 43 1 36 16 44 1 37 17 18 am 38 17 45 1 39 18 19 2 40 18 20 1 41 20 25 ar 42 20 21 ar 43 21 22 1 44 21 23 ar 45 22 46 1 46 22 47 1 47 22 48 1 48 23 24 ar 49 23 49 1 50 24 25 ar 51 24 50 1