IFLAB-ZINC05258602 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 -0.6410 1.9540 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 0.4940 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 0.0280 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -1.3300 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -2.2660 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -1.7820 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -0.4150 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -2.6790 -2.5160 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5060 -2.1940 -3.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -3.8750 -2.2470 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0150 -3.6470 0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -4.2800 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -3.7780 2.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -5.7760 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -6.3560 2.7580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4240 -6.0310 3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -7.8970 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -8.3070 3.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -5.9990 5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -5.9830 6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -6.2440 7.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 2.4550 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 2.1020 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 2.4300 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 0.7210 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -1.6170 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.0440 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -4.2290 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -6.2540 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -5.9790 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -5.1600 5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -6.9410 5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -5.0160 6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -6.7500 5.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -7.2090 7.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -5.4480 7.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -8.5030 2.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5670 -5.8820 3.8270 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9010 -4.9220 3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -6.5840 3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -6.2920 8.5020 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7290 -6.4900 9.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -7.0300 8.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -5.4010 8.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 16 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 41 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 37 -1 M CHG 1 38 1 M CHG 1 41 1 M END