D0BR8X ChemDraw05202015342D 58 57 0 0 0 0 0 0 0 0999 V2000 -9.2001 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4856 2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7711 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0567 2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3422 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6277 2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9133 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1988 2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7698 2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3409 2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6264 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 2.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 3.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 0.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 1.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 -0.1110 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 -0.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 -1.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -2.1735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 -2.1735 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 -2.1735 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 7.5683 -2.1735 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 8.3933 -2.1735 0.0000 K 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3721 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3423 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6292 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3436 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0581 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7726 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4871 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2015 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9160 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6305 1.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 0.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4849 -1.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -1.4595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2146 -3.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4513 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2183 -2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6305 -1.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6305 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48 49 2 0 25 48 1 0 48 53 1 0 52 54 2 0 51 53 1 1 51 52 1 0 50 51 1 0 50 55 1 0 27 52 1 0 56 57 2 0 56 58 1 0 30 56 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 28 1 0 28 29 1 0 29 30 1 0 22 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 31 47 2 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 48 49 M SBL 1 2 2 3 M SMT 1 CO M SBV 1 2 -0.7145 0.4125 M SBV 1 3 -0.7145 0.4125 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 6 50 51 52 53 54 55 M SBL 2 2 3 9 M SMT 2 S^er M SBV 2 3 -1.0315 -0.7140 M SBV 2 9 1.1159 0.7140 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 56 57 58 M SBL 3 1 12 M SMT 3 COOH M SBV 3 12 -0.8250 0.0000 M END $$$$