IFLAB-ZINC04569066 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.0540 1.4540 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 0.1950 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -0.3850 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 0.0160 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -0.5140 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -1.4510 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -1.8520 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -1.3210 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -1.9890 0.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -2.3200 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 -2.0670 2.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2420 -2.9970 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7300 -3.3330 0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 -3.2360 2.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 -3.8040 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8130 -3.8620 3.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.7840 -2.8700 4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9890 -4.8500 4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0690 -5.5440 5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2630 -5.6170 4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1970 -4.3560 3.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4680 -3.6210 3.1010 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.6340 -3.9660 3.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0700 -2.2780 2.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6340 -4.3820 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4780 -5.4650 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6080 -6.0620 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8950 -5.5750 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0520 -4.4910 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9250 -3.8910 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 1.8740 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 2.1880 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 1.1980 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 0.4520 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.5380 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 0.7440 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -0.2000 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -2.5800 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -1.6350 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -2.1240 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4800 -3.0310 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8930 -3.1790 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 -4.8110 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4810 -5.5750 4.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2730 -4.3160 5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7480 -6.5410 5.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3180 -4.9370 6.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1540 -6.4730 3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2030 -5.6780 5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0350 -5.8450 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2660 -6.9080 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9960 -6.0410 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4940 -4.1110 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2690 -3.0420 0.5640 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