IFLAB-ZINC02457110 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 -0.2680 1.7050 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 0.1840 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -0.4430 0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 0.0430 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 1.5660 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 3.7690 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 4.1770 2.7410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3660 3.9980 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 5.6230 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 6.0320 4.6810 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 6.0630 4.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 4.8830 5.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 3.2610 3.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 3.6640 4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -1.3890 -0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -1.7320 -1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -1.9600 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -2.9380 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 -3.4380 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 -4.3820 -2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -5.5060 -2.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 2.1830 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 1.9920 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -0.2010 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.0780 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -0.4360 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -0.2280 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 1.8520 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 1.9430 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 4.0940 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 4.1390 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 5.7500 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 6.3260 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -2.4700 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -1.1280 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -2.4510 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -3.7820 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -3.9770 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -2.5990 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 2.2490 1.2570 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6410 2.0810 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 7.3130 4.8530 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9870 -3.9250 -3.6610 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 40 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 42 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M CHG 1 42 -1 M CHG 1 43 -1 M END