IBS-ZINC00531710 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3060 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -0.7400 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -1.6760 1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -2.9890 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -3.4540 2.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -2.5360 3.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -1.4300 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 0.0890 2.9530 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -0.3740 4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 0.8060 5.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 1.8560 4.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 0.6840 6.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 1.7770 7.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 1.6560 8.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 0.4530 9.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 -0.6350 8.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5250 7.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0470 0.3410 10.7310 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -3.7290 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -5.0820 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -5.3520 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -4.1660 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -3.1880 -1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.8580 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8330 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -1.2910 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.0240 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -0.6770 5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -1.2020 4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.7140 6.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 2.4990 9.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -1.5680 9.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -1.3710 6.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -5.8070 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -6.3250 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -4.0260 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 M END