IFLAB-ZINC04167030 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.6060 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1680 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 -0.4340 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -1.8300 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -2.6080 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -1.9900 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.9620 -2.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -4.6900 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -2.4780 -4.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -3.6920 -4.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -1.7270 -5.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -2.3730 -6.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -1.3020 -7.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -1.9660 -8.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 -1.7040 -9.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 -2.6720 -10.9530 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -3.3510 -9.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -2.8340 -8.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 -4.3440 -9.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9300 -4.8280 -10.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 -5.7560 -10.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4800 -6.1730 -9.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0170 -5.6990 -8.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 -4.8100 -8.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.2450 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 0.1700 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -2.5860 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -5.7590 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -4.4240 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -4.4410 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -0.7600 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -2.9860 -6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -3.0020 -7.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -0.6890 -7.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -0.6730 -6.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 -1.0180 -10.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 -4.4860 -11.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 -6.1520 -11.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2810 -6.8970 -9.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 -4.4420 -7.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 20 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 19 20 2 0 0 0 0 19 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 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 M END