IFLAB-ZINC04942294 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 2.0380 0.0730 -1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -1.0560 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -0.5680 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -1.6930 -0.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1580 -2.4900 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -1.0120 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -0.8030 1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -2.2800 1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -3.3060 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -3.9100 0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -3.7000 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -4.9560 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -5.3560 3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -4.5110 5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -3.2580 4.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -2.8540 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -4.9130 6.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -4.9820 7.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -4.7030 8.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -4.3460 7.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -4.9100 9.4100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -5.3280 10.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -5.6540 11.6960 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -5.4830 8.9130 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -4.6860 10.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -0.2940 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 0.4820 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 0.8860 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -1.8610 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -1.4570 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.1820 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -0.0490 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -1.8560 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -5.6280 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -6.3290 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -2.5660 5.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -1.8570 3.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -5.1950 6.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -5.6170 10.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -3.9220 10.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -4.3570 9.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -0.7630 -1.0580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 42 -1 M END