IFLAB-ZINC04372126 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.4240 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -0.5780 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -0.9070 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -1.0840 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -0.9310 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -0.6050 -2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -1.1090 -5.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.1950 -4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -1.6010 -5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.3570 -6.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 0.1300 -5.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -1.4360 -5.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1090 -1.5700 -5.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 -1.5920 -6.1030 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.4400 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -1.0260 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.4890 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -3.0000 -5.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -2.5730 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -2.3100 -5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -1.3060 -4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -0.6360 -7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 0.4000 -6.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 0.7220 -4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 0.7110 -6.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END