IBS-ZINC05345200 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 1.8480 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 0.7360 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -0.3710 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -1.2890 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 3.2690 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 3.7850 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 5.1660 1.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 5.8300 2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 5.2840 3.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 7.2510 2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 7.7450 3.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 7.5920 4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 7.0430 4.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 8.1050 6.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 8.0760 6.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3620 8.6410 8.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 8.6750 9.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 9.2860 10.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 9.7370 10.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 9.4200 8.7500 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 8.7910 6.1640 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 8.3630 4.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 8.5850 3.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 0.7170 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 3.3030 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 3.8950 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 3.7510 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 3.1590 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 5.6030 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 7.2850 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 7.8770 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 7.6230 6.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 8.2630 9.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 9.3940 11.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 10.2390 11.0890 H 0 0 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 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 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 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 27 28 1 0 0 0 0 28 29 2 0 0 0 0 M END