IFLAB-ZINC04063053 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0100 1.3590 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0110 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -0.6790 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0410 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 1.4160 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0730 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 2.1430 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 1.5900 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 0.4990 -1.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 2.3110 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 3.5660 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 4.2330 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 3.6620 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3480 2.4180 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 1.7380 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 1.8150 -1.4250 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5370 0.7210 -1.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 2.4120 -1.3470 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9120 4.5090 -0.1550 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -2.1460 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -2.9000 0.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -4.2190 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -5.2490 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -6.5450 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -6.8120 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -5.8450 0.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -4.5760 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -3.1110 0.5710 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.8730 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.5650 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -0.4700 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 3.1440 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 3.0460 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 4.0120 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 5.2040 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 0.7670 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -5.0240 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -7.3490 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -7.8300 1.0900 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END