IFLAB-ZINC02678704 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 0.9100 1.5950 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 0.5580 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 3.0690 2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 3.4420 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 4.7560 2.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 5.9140 2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 5.8570 1.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 7.2460 2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 8.3020 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 9.6640 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 10.6330 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 11.8940 3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 11.8520 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 10.3040 2.8690 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 7.4480 4.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 6.5640 5.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 5.3590 5.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 7.1600 6.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 6.6520 7.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 7.1850 8.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 8.2160 8.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 8.7110 7.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 8.1820 6.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 0.6970 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 1.4930 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.4680 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 0.4610 2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -0.3100 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 0.6700 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 3.8480 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 2.9280 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 3.4260 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 2.7340 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 4.8230 3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 8.1520 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 10.4470 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 12.7880 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 12.6620 3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 8.4280 4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 5.8450 7.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 6.7950 9.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 8.6280 9.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 9.5040 7.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 8.5590 5.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 1.7810 1.2670 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1040 1.8870 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 45 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END