IFLAB-ZINC04031758 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -2.5130 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -1.7180 -3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -3.8300 -2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -4.2260 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -5.7530 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -6.2880 -4.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -6.4620 -5.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -6.1740 -6.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -6.9980 -5.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -7.1910 -6.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -7.7000 -6.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -8.0230 -5.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -7.8400 -4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -7.3250 -4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -7.1290 -3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -7.4510 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -7.9590 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -8.1580 -3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -8.6640 -3.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -9.9940 -2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -10.5420 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 -9.6190 -2.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 -8.3130 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 -7.7430 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -6.5940 -3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -6.4230 -1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -3.8380 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -3.8220 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 -6.0490 -4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -6.1450 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -6.9460 -7.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -7.8440 -7.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -8.4160 -5.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -7.3050 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -8.2040 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 -10.6670 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 -9.9160 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 -10.6710 -4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5530 -11.5020 -2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5780 -8.3780 -4.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0670 -7.6620 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -7.6290 -1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -6.7730 -3.3500 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 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 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 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 M END