IBS-ZINC05484680 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.2990 1.5090 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 0.0920 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.4650 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -1.7650 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -2.5130 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -1.9570 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -0.6530 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -0.0480 -2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -2.7120 -2.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -3.5110 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -4.5850 -3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -5.5360 -3.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.5380 -4.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -3.4400 -4.7260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9870 -3.8420 -5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -2.6640 -3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -1.9680 -3.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -2.5120 -5.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -1.9280 -6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -1.1340 -7.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -1.0960 -7.3250 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -2.1970 -5.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -5.5900 -5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -6.6360 -5.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -7.6730 -6.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -7.6700 -7.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -6.6290 -7.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -5.5920 -6.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -8.9750 -8.4690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 2.1900 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 1.6120 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.7510 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 0.1180 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -2.1960 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -3.5280 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.4370 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -0.8320 -2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.6890 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -3.9720 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -2.8620 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -2.1020 -6.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -0.5960 -8.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -2.5600 -5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -6.6380 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -8.4860 -6.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -6.6290 -8.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -4.7820 -6.7450 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 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 29 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END