IBS-ZINC06719912 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0340 1.4520 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 0.0240 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -0.6130 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -2.0010 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -2.6510 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -1.9120 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -0.5170 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 0.1250 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -2.6050 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -2.0250 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 -2.7930 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9380 -4.1140 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -4.3500 0.0280 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 -5.2080 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2870 -4.5780 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5940 -3.3200 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6220 -2.2370 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1700 -5.1370 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2010 -4.5520 1.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8980 -6.4030 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8300 -7.0100 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5580 -8.2770 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4100 -9.0050 3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7310 -10.1870 4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5220 -10.1370 3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4230 -8.9900 2.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 1.8330 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 1.8090 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.8050 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -2.5720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -3.7300 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 0.0580 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 1.2050 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9990 -5.6990 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 -5.9380 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4870 -3.4630 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6160 -3.0170 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8770 -1.9360 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6860 -1.3750 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 -6.8860 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7780 -6.5280 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4030 -8.7200 4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1060 -10.9880 4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 -10.9000 3.6730 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 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 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 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 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 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END