IBS-ZINC02129494 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 0.1260 1.5810 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 0.0640 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -0.4640 0.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9700 -0.0670 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -2.0010 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -2.6010 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -4.1200 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -4.7190 -0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.0230 1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 1.0470 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 1.7500 0.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 1.3740 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 2.7180 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 3.0790 4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 2.0970 5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 0.7550 4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 0.3890 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.8880 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 1.9560 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 2.0640 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.3610 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.2680 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -2.3090 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -2.4190 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -2.3820 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -2.1410 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -0.5250 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 3.4870 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 4.1240 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 2.3760 6.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -0.0100 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -0.6650 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 -4.5940 -0.5420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 M CHG 1 33 -1 M END