IFLAB-ZINC04583584 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 0.6960 1.5550 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 0.0800 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.7920 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -2.1630 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -2.6840 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -1.8130 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -0.4400 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -4.0730 -0.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -4.8070 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -4.4450 -1.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -6.2960 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -6.6720 -0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -7.0740 -1.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -8.5160 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -8.9190 -3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -10.4150 -3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -11.0290 -4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -12.4100 -4.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -13.1830 -3.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -12.5970 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -11.2140 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -14.9770 -4.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -15.4820 -2.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -15.2860 -4.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -15.2200 -5.2880 N 0 5 0 0 0 0 0 0 0 0 0 0 1.3150 -14.9120 -5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 2.0270 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 2.0170 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 1.7590 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -0.4090 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -2.8150 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -2.1690 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 0.2220 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -4.6250 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -6.5980 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -8.9190 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -8.9090 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -8.4310 -3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -8.5440 -3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -10.4350 -4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -12.8760 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -13.2060 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -10.7620 -2.0130 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 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 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 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 M CHG 1 25 -1 M END