CHEMDIV-ZINC03052110 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -1.5090 1.3120 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 0.0810 1.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -0.8180 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -2.1170 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -2.7270 1.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -4.0670 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -4.8890 0.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -4.5000 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -5.8070 3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -6.2390 4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -5.3760 5.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.0730 5.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -3.6390 4.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -5.7770 6.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -4.9270 6.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -3.8410 6.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -5.4130 7.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -4.6730 8.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 -5.1690 9.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -6.3970 9.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -7.1240 9.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -6.6380 8.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -7.3880 8.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -6.9560 7.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -7.9100 6.8010 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -7.1460 8.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -7.7870 7.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -7.2230 6.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.9560 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 1.8130 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 1.1450 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -1.0130 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -0.3660 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -2.8090 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -1.9140 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.1040 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -6.4930 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -7.2440 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -3.3800 6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -2.6320 4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -3.7170 7.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -4.6010 9.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 -6.7880 10.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -8.0790 9.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -7.3440 9.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -6.0640 7.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -8.7680 8.5350 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 47 -1 M END