IBS-ZINC05269869 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.4060 -0.0610 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 0.2650 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -0.7350 -0.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.4070 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 0.7450 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 1.0570 -3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 0.2090 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -0.9350 -3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -1.2380 -1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -2.4970 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 -2.5760 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -2.1200 0.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7170 -2.1740 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.9890 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -1.7550 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -1.6710 2.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -4.0160 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -4.5150 1.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 0.5180 -4.9860 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7650 1.4860 -5.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -0.2040 -5.2650 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0170 0.7760 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -0.2280 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -0.9420 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 1.2180 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 0.4290 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 1.4210 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 1.9560 -3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -1.6050 -3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 -2.5550 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -3.3510 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -2.5810 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -4.0210 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -3.0150 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -1.2100 1.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8540 -4.6060 0.5020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 35 -1 M CHG 1 36 -1 M END