IFLAB-ZINC04331316 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 0.1610 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -0.4460 -3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -1.8160 -3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -2.6110 -2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -1.9960 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.7510 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -3.1280 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -4.0210 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -4.9700 -1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -4.1090 -3.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -2.7680 -4.2410 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 -2.6100 -4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -2.5750 -5.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -2.7240 -6.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -3.0570 -6.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -3.2050 -7.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -3.0230 -9.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -2.6870 -9.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -2.5450 -7.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -2.5090 -10.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -3.1820 -10.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -3.0230 -11.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 1.2390 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.1590 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -3.7130 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -3.7270 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -2.2330 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -2.3430 -5.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -3.1980 -5.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 -3.4620 -7.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -2.2910 -7.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -3.3140 -10.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 -3.5030 -10.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 -3.5960 -11.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 39 40 1 0 0 0 0 M END