IBS-ZINC02128937 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.2700 1.6040 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.0780 -0.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3250 -0.2340 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.5920 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -1.2620 -1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -0.3340 0.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 0.2120 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -0.7510 1.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8020 -1.7350 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -0.8240 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -1.9320 3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -1.9670 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -3.0430 5.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -3.0400 6.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.1610 7.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -4.1540 7.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 0.2410 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 1.4700 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.4090 -1.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.0030 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -0.3540 -3.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -1.2380 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -1.6390 -4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -2.5240 -4.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 -3.0170 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -2.6240 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -1.7380 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -1.3010 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -1.7240 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 2.0680 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.9860 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 1.9470 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 0.1400 3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 -0.9990 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 -2.9030 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -1.7850 3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -1.0160 5.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -2.1320 4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -3.8350 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -4.8860 6.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -4.2430 8.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 0.6720 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -1.2580 -5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -2.8290 -5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -3.7060 -3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.0080 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -0.3000 -0.2160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 47 -1 M END