IFLAB-ZINC04942558 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.4970 0.2870 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -0.7960 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -1.5450 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.2170 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -0.1280 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 0.6190 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -2.0130 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -2.7890 -3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -2.4980 -4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -1.1380 -5.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -0.0990 -4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -0.3200 -3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3970 -0.9370 -5.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 -1.8900 -5.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4820 -1.4570 -6.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -2.2100 -6.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 0.0210 -6.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6200 0.7800 -6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9210 0.2710 -6.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8930 -0.0330 -5.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1370 -0.5300 -6.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4180 -0.7250 -7.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4550 -0.4260 -8.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2120 0.0700 -8.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2580 0.3650 -9.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0560 0.6790 -5.7110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 0.8680 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -1.0590 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.3930 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 0.1490 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 1.4590 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -1.8280 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -3.0820 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -3.7610 -3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -2.7580 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 -3.2610 -5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -2.5760 -5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 0.9150 -4.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -0.1560 -5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 -0.2120 -2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 0.3850 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5550 1.8650 -6.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6860 0.1060 -4.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8850 -0.7710 -5.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3860 -1.1150 -8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6880 -0.5900 -9.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 0.1700 -10.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -1.7340 -2.9870 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3710 -1.8100 -3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 48 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END