IFLAB-ZINC04061693 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0410 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -2.6320 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.7300 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -4.1950 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6990 -4.5500 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -4.6960 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -4.7260 0.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8870 -4.4440 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -4.1370 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -3.1070 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7980 -2.7400 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9110 -3.4720 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 -4.6980 -1.6490 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -6.7360 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -8.2520 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -8.8570 1.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -8.3100 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -6.7950 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -10.2500 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -11.0140 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -12.3900 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -13.0090 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 -12.2500 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -10.8740 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -14.3550 1.0650 F 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 0.5120 -0.3560 -0.8950 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 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -2.2570 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -4.3170 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -5.7850 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -4.3400 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5550 -2.5990 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4670 -1.9230 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -3.3300 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 -6.2820 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -6.5180 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -8.6630 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -8.4700 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -8.7640 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -8.5290 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 -6.5770 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -6.3840 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -10.5310 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -12.9840 2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 -12.7350 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 -10.2820 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -6.1900 0.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 55 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 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 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END