NCID-ZINC04776055 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3770 0.0100 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 1.2160 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.5660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0820 4.1580 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 4.1920 0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7020 -0.6810 -0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7460 -0.0520 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -1.8980 -0.0430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2440 -2.4420 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -2.8790 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.4020 -0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1780 -4.8180 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -4.7650 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -5.0830 -1.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -4.7370 1.1550 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -5.0900 1.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7060 -4.7510 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 -4.4160 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 -2.8970 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 -2.2330 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 -2.9050 4.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -6.5850 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -7.2840 1.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -4.9490 -1.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -4.5740 -2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -3.7850 -2.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -5.1360 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 1.9730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.4730 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.4640 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.4820 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 -4.7480 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 -4.6850 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -2.5640 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -2.6280 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -5.5800 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -4.8740 -3.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -6.2210 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -4.9380 -5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -0.8940 3.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6070 -7.1400 1.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -4.5760 -4.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -4.7510 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 -8.1030 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -0.5140 4.1790 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 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 48 1 0 0 0 0 45 48 1 0 0 0 0 46 51 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END