NCID-ZINC04758269 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6180 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 0.1340 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -0.5050 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.9030 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -2.6490 2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0210 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.7680 0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -4.0560 0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -4.8020 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -6.2630 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -6.9390 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -8.3030 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -9.0320 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -8.4060 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -7.0020 -1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -6.3200 -2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -4.9620 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -4.1900 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -2.8360 -1.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -10.7930 -0.6750 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -11.2340 -2.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -11.1420 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 0.2360 4.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -0.3530 5.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 0.3880 6.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -0.2460 7.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 0.5080 8.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 1.8900 8.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 2.5250 7.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 1.7840 6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 2.8460 9.3790 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 4.1050 9.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 2.0050 10.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2130 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.3930 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -3.7270 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -6.3840 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -8.8230 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -8.9850 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -6.8840 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -4.4680 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -2.4320 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -1.3250 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 0.0200 8.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 3.6040 7.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 2.2810 5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -11.2590 0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 3.1120 8.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 3.6340 9.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -12.2200 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 39 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 52 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END