IFLAB-ZINC04291551 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.8360 3.2550 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 1.8370 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 0.9220 1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.5070 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -1.4450 1.8690 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9460 -1.0110 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -2.8600 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -3.6900 2.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -1.4810 3.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.8790 4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -0.2790 4.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -1.0400 5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -0.6230 6.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 0.1500 7.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 1.2820 6.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 1.7350 7.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 0.9470 8.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -0.3210 8.4580 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -1.9420 5.4320 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -2.0920 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -2.8640 2.7910 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 3.6880 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 3.8920 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 3.2750 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 1.4450 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 1.8560 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 1.3190 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 0.9220 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -0.9040 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.4690 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.8990 7.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.7670 5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 2.5950 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 1.0570 8.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -3.0170 0.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 35 -1 M END