IFLAB-ZINC04569070 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.3300 0.6960 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -0.4980 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.9290 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -0.3780 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -0.7710 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -1.7220 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -2.2740 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -1.8790 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -2.1210 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -2.4550 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -2.3210 2.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2710 -2.9880 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8860 -3.1220 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 -3.3220 2.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2140 -3.8450 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6680 -4.0230 3.8000 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.9740 -4.6760 4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7340 -2.6490 4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0000 -2.7730 5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9250 -3.6360 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0210 -4.5980 3.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4550 -6.0770 3.2280 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.8140 -5.9640 2.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4140 -6.4710 2.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4260 -7.2190 4.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5640 -7.4240 5.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5420 -8.3200 6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3820 -9.0110 6.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2440 -8.8070 5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2680 -7.9140 4.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 1.0080 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 1.5220 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.4100 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.2120 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -1.3230 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 0.3600 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -0.3400 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -3.0120 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -2.3110 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 -2.1590 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3540 -3.2150 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8790 -3.1460 1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2420 -4.8080 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8480 -2.4860 5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8530 -1.8490 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7730 -3.2850 6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4420 -1.7950 5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6580 -4.1630 5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4250 -3.0120 3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4710 -6.8840 5.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4310 -8.4800 6.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3640 -9.7100 7.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3370 -9.3460 6.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3800 -7.7570 4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END