IFLAB-ZINC04086990 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.1650 1.3320 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.1400 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -0.3720 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -2.1900 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -2.6530 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -1.8900 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -0.6860 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -0.0080 -1.9830 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -1.2910 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -2.2370 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 -3.4210 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 -4.3770 0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 -1.3240 -2.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7730 -0.3460 -2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 0.7370 -3.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2080 -0.7530 -3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 -0.1790 -4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5690 0.9450 -4.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0770 1.5270 -5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7480 0.9980 -6.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9040 -0.1170 -6.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3740 -0.7230 -5.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5240 -1.8410 -5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2170 -2.3410 -7.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7470 -1.7360 -8.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5840 -0.6310 -8.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.0320 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 1.6690 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 1.9740 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.4940 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -0.7100 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.0790 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -1.4250 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 0.2230 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -2.5830 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -2.5070 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 -3.7270 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -2.5020 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 -2.1440 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3140 -1.8440 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8290 -0.4140 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8340 1.3780 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7270 2.3950 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1560 1.4700 -7.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0820 -2.3460 -4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 -3.2050 -7.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5110 -2.1210 -9.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9870 -0.1690 -8.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -0.1710 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 1.0320 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.6600 0.0260 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7050 -0.3860 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 51 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 3 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 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 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END