IFLAB-ZINC04305255 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 0.7690 1.6600 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 0.1860 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -0.5400 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -1.9240 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.6030 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -1.8680 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.4870 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -2.5900 -2.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -1.8700 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -2.9010 -4.6810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4630 -3.4830 -4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -2.2580 -6.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.8450 -8.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -4.0320 -9.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -4.8650 -9.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -5.3820 -8.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -4.2160 -7.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -5.0740 -10.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -6.1570 -11.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -6.3240 -12.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -5.4070 -13.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -4.3620 -12.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -3.8430 -4.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -4.1070 -3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -4.0900 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.6480 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 1.8360 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 2.1640 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 2.1180 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.0190 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 0.0970 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -1.1310 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -1.3880 -3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -1.8080 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -1.5060 -6.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -2.2870 -8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -2.1760 -8.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -3.6570 -10.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -4.6450 -8.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -5.9270 -8.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -6.0780 -7.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -3.5640 -7.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -4.5970 -6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -6.9070 -10.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -7.1730 -12.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -5.5080 -14.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -3.6110 -13.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -4.2820 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -4.5480 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -4.6050 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -3.2750 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -3.2700 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -1.9490 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -3.3520 -7.0850 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1760 -3.9470 -6.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -4.1850 -11.7310 N 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 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 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 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 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 56 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END