IBS-ZINC04870971 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.5820 1.2170 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -0.1560 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -0.7060 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 0.1180 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 1.4910 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 2.0400 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 2.3720 -0.5170 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0070 1.8880 -0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 3.5820 -0.5160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 -2.2020 -0.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8950 -2.4720 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -2.7200 1.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0640 -3.6670 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -3.6610 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -4.3120 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -2.8440 -0.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -2.6200 -1.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -3.6340 -2.9240 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1160 -3.5950 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -3.3620 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -4.7710 -5.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -5.7280 -3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -4.9660 -2.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -4.3010 2.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -1.5800 2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -1.2620 2.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -0.8810 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 0.1700 3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 0.6620 3.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 0.0420 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -1.2230 2.2680 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 1.6460 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -0.8000 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -0.3110 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 3.1130 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -2.7400 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -1.6100 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -2.8300 -4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -2.7960 -4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -4.9350 -5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -4.9020 -5.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -6.6130 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -6.0110 -3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -3.2520 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 0.5700 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 1.4890 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 0.3050 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 24 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END