IBS-ZINC02239457 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 -3.5680 -2.2850 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -2.7080 0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -1.9490 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -1.0730 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.3410 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -0.4750 -2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -1.3490 -1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -2.0930 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -2.9780 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -2.4440 0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -4.3580 -0.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -5.0490 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -6.0200 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -6.2130 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -5.2410 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -7.9820 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -9.2290 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -10.1190 2.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -9.7830 3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -8.7120 4.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -10.8260 4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -10.6000 5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -11.6040 6.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -12.7820 5.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -12.9160 4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -11.9640 3.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -2.5000 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -2.8640 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -1.2250 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -0.9360 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 0.3430 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 0.1080 -3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -1.4430 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -4.3520 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -5.6010 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -5.4970 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -6.6230 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -6.9360 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -5.6820 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -5.7930 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -4.6680 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -8.2820 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -7.4490 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -9.7960 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -8.9600 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -11.0370 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -9.6740 6.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -11.4690 7.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -13.5790 6.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 -13.8210 3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -6.9890 0.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2250 -7.5150 -0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 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 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 51 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END