IBS-ZINC02135861 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 0.0190 0.7190 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.5230 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -0.7890 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 0.1800 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 1.4180 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.6940 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 2.4300 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 3.5260 0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 2.0430 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.7860 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 -0.1290 -0.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 2.9770 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 2.7900 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8070 3.5190 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1560 4.2880 0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5540 3.1810 2.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 2.4860 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 3.7070 2.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3830 4.0200 1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7800 4.8470 3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 6.1650 3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1080 6.6450 2.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 2.5920 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0250 1.6780 4.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 0.9260 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -1.2850 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.7570 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 2.6620 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 0.5910 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 2.7990 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 4.0070 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 3.1600 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 1.7250 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0950 4.5750 4.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7540 5.0410 4.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 6.6590 3.7770 O 0 5 0 0 0 0 0 0 0 0 0 0 11.9820 2.7070 3.5350 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 37 -1 M END