IBS-ZINC05325084 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.7530 1.3020 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.0450 -0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.5670 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 0.0340 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -0.5840 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -1.8160 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -2.4160 -1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7900 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -2.4220 0.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6700 -3.4930 0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -1.8710 1.3530 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4510 -2.4810 -4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -3.6900 -4.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -1.7490 -5.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -2.3730 -6.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -1.9160 -7.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -0.4200 -7.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 0.2170 -9.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 1.5920 -9.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 2.3470 -7.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 1.7180 -6.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 0.3350 -6.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -0.3380 -5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 0.3560 -4.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 3.6960 -7.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 4.4040 -6.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 2.2080 -10.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 1.3760 -11.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 2.0120 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 1.1720 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 1.6810 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 0.9860 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -0.1160 -4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -3.3690 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -2.0690 -6.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -3.4580 -6.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -2.2290 -8.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -2.3820 -7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -0.3610 -9.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 2.2980 -5.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 -0.1560 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 1.4300 -4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 5.4690 -6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 4.0410 -6.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 4.2430 -6.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.6520 -11.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 1.9910 -12.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 0.8480 -11.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END