NCID-ZINC04430814 MOE2007 3D CORINA 3.40 0006 02.08.2006 82 87 0 0 1 0 0 0 0 0999 V2000 0.5700 0.9090 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -0.4740 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -1.0330 -0.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2590 -2.0900 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -0.3530 -0.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -0.4350 -1.8580 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4370 -1.3700 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -0.2130 -2.9010 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 0.8300 -1.4790 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3360 1.7640 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 0.5550 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 1.0320 1.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8650 1.8100 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 2.7600 -0.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7780 3.1110 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0140 2.5240 -0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5660 3.9600 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 4.5690 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 5.5160 2.5810 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0120 5.2640 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 5.1740 3.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6990 4.1590 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 6.0680 5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 7.4620 4.9300 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9260 8.0300 4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 7.3670 4.4840 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0010 6.5310 3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4490 5.1240 3.3460 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6900 4.2430 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8010 3.7350 1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2040 4.5130 4.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4530 6.9370 2.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 8.7300 4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6090 8.9460 3.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9890 9.8690 5.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9290 9.6790 5.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 10.8030 6.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 12.0730 6.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 12.2470 5.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5360 11.1470 4.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5760 11.3630 4.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 8.2990 6.2290 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9740 7.6710 7.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 8.4670 6.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 7.2410 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 7.5810 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 4.3720 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -1.0910 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -1.6450 1.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -1.4630 -1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 1.6200 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 1.3390 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 0.8560 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 2.3120 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9080 1.5590 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 3.2390 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 6.1750 5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 5.5210 5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 4.2320 4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5330 6.8410 5.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 10.6930 7.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6030 12.9260 7.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 13.2310 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8440 10.4750 3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0560 7.5430 7.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 8.2980 8.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 6.7000 7.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 7.6120 6.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 6.9110 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 6.7950 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 8.3230 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 7.4750 3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 7.1540 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 8.6570 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6370 2.8590 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -1.0860 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -2.4320 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -1.6450 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 0.5440 -1.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 0.0720 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 6.9390 2.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -0.6500 1.3690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 48 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 79 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 13 79 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 75 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 47 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 81 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 59 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 39 2 0 0 0 0 38 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 40 41 1 0 0 0 0 41 64 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 65 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 44 68 1 0 0 0 0 45 69 1 0 0 0 0 45 70 1 0 0 0 0 45 71 1 0 0 0 0 45 81 1 0 0 0 0 46 72 1 0 0 0 0 46 73 1 0 0 0 0 46 74 1 0 0 0 0 46 81 1 0 0 0 0 48 49 2 0 0 0 0 48 82 1 0 0 0 0 50 76 1 0 0 0 0 50 77 1 0 0 0 0 50 78 1 0 0 0 0 79 80 1 0 0 0 0 M CHG 1 82 -1 M END