NCID-ZINC05386888 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 -0.8540 0.2950 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -0.2980 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.9330 1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -0.0460 0.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -0.3940 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -1.5680 -1.7410 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8060 -1.3050 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -1.8460 -3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -2.6760 -2.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -3.6530 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -3.6930 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -4.7640 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -4.9010 0.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -5.5850 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -6.3160 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -5.4420 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -4.5220 -1.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -6.3200 -0.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -2.7720 -0.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 0.4840 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 1.4550 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 1.9160 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 1.3990 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 0.4110 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -0.0360 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 1.8720 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4430 2.4530 -1.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 1.6270 0.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6010 1.8050 0.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7920 2.6510 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2670 0.5200 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8330 0.1310 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 -1.1240 -2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1280 -1.8560 -1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2260 2.0680 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4850 1.6850 2.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 0.4960 3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 1.2460 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.4180 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 0.4950 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.6500 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -2.3880 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -0.9130 -3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -2.6030 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -7.0520 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -6.2330 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -2.9410 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 1.8960 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 2.6740 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -0.0650 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -0.8470 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 1.3150 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0470 -0.3120 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3580 0.6420 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0320 0.9670 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7550 -0.0640 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3130 -1.2830 -3.5190 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.3500 2.6420 1.6600 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 19 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 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 M CHG 1 57 -1 M CHG 1 58 -1 M END