IBS-ZINC00754646 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 0.5250 1.4780 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 0.0140 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -0.4120 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -1.7730 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.7110 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -2.3030 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -0.9410 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -4.4370 0.1480 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -5.1990 -0.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -4.5830 1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -4.7500 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -4.6450 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -5.2490 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -5.0480 -2.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -4.2820 -3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -4.0530 -4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -3.2660 -5.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -2.6990 -5.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -2.9220 -4.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -3.7040 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -3.8900 -2.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -6.0580 -0.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -6.4110 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 -7.4390 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 -7.8510 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 -7.2400 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -6.2070 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 -5.8080 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2270 -5.5310 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9570 -4.5390 -1.8230 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4310 1.8390 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 1.6700 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 2.0540 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 0.3170 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -2.0860 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -3.0320 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -0.6260 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -4.7720 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -4.4960 -4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -3.1000 -6.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -2.0820 -6.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -2.4730 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -6.5030 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -7.9440 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 -8.6520 1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 -7.5670 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5800 -5.0010 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3880 -5.9980 -0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 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 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 2 0 0 0 0 M CHG 1 30 -1 M END