NCID-ZINC04962412 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2030 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0350 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4330 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0950 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -0.6800 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -1.8920 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 0.0960 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -0.8790 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 0.0540 -0.0690 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9780 -1.2520 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3700 -0.6180 -0.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4960 -0.0040 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4160 -1.7030 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2060 -1.7710 -1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4730 -2.5980 0.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4890 -3.6520 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3380 -4.5130 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4700 -4.2700 2.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 0.2190 -1.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3940 1.2420 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0600 1.4710 -0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5450 2.1030 -2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5960 3.1840 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 4.0580 -3.5040 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7770 4.4570 -3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6930 5.1950 -3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8450 5.1340 -3.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7610 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9930 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 0.7270 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 0.7190 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 -1.5110 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -1.5020 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 -1.8740 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8520 -1.8660 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8400 -2.5440 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3630 -4.2660 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4810 -3.2010 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9840 0.0360 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 1.4850 -3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5900 2.5730 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2800 3.8020 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5510 2.7130 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1920 2.8670 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1670 -5.5490 2.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2520 6.2760 -2.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2900 3.2490 -4.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6460 2.5180 -4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8940 6.9800 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0310 -6.0720 3.1110 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 49 52 1 0 0 0 0 50 55 1 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 M END