IFLAB-ZINC02457767 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2070 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0240 -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 1.1690 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 2.1130 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -0.6410 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -2.0690 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 -2.6280 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 -1.8770 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -3.9620 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 -4.5210 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 -5.4790 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -6.4010 1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -5.8420 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -4.8830 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 -8.0400 1.1020 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -8.6130 0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 -8.2550 0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -8.5640 2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -8.9410 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -9.3520 4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -9.3870 5.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 -9.0110 4.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 -8.6040 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3180 -9.0440 5.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 -9.1000 6.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2840 -10.1630 7.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -9.7860 6.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.7620 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 2.3190 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -2.4160 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -2.4070 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 -5.0640 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -3.7140 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -6.0460 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 -4.9100 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -6.6480 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -5.2980 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -4.3160 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 -5.4530 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -8.9140 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -9.6460 5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9310 -8.3130 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2940 -9.3700 7.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 -8.1290 7.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 -11.1330 6.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 -10.2180 8.3210 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END