IFLAB-ZINC03055959 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 0.8470 2.0190 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 0.6700 1.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 0.2940 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -1.1620 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -2.0380 1.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -3.3720 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -3.8500 0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.2510 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -3.7200 3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -4.6010 4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -5.8900 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -6.7100 5.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -6.2620 6.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -4.9880 6.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -4.1570 5.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -4.5180 7.9810 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2980 -5.2510 8.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -3.3970 7.9330 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2940 -5.6350 2.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -6.2950 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -5.7020 1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -7.7390 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -8.4030 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -9.7510 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -10.4450 1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -9.7930 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -8.4440 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 2.2260 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 2.6980 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 2.1620 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 0.4010 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 0.9370 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -1.4220 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.2890 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -1.6570 2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -2.6490 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -6.2420 4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -7.7050 6.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -6.9090 7.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -3.1650 5.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -6.1200 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -7.8630 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -10.2660 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -11.5010 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -10.3410 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -7.9360 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 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 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END