IFLAB-ZINC04139428 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.6690 -1.8090 2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.8950 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -0.2470 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -0.6990 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -3.0280 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -2.6250 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -2.3650 -3.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6560 -3.4540 -4.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -1.8060 -5.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -2.4610 -6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.6700 -7.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 -0.4280 -7.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -0.2200 -5.7920 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -2.1280 -3.7260 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4910 -1.0630 -3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -2.9170 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -2.4930 -4.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -1.8330 -5.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7600 -0.9670 -4.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 -2.2460 -6.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2720 -2.2000 -6.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 -2.5800 -7.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1570 -2.9960 -8.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 -3.0260 -8.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 -2.6460 -7.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8290 -3.4000 -10.1390 N 0 3 0 0 0 0 0 0 0 0 0 0 11.0660 -3.3360 -10.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1180 -3.7830 -11.0770 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3140 -2.8120 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -1.8980 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -1.4050 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -0.8670 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 0.1180 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 0.6360 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -0.0260 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 0.1090 -2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -0.8000 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -3.3350 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -3.9090 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -2.4430 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -3.4100 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -3.4680 -5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.9930 -8.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.3710 -7.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 -2.7940 -2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 -2.5860 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 -3.9890 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -3.2600 -5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 -1.8720 -5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0060 -2.5420 -7.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 -3.3330 -9.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -2.6400 -7.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -1.3450 -0.1870 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6070 -1.5220 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -1.9520 -2.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 53 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 55 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 55 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 53 1 M END