IFLAB-ZINC04337077 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -0.0460 1.0410 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 1.3980 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 3.2080 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 3.5520 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 4.9790 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 5.5670 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 5.0030 -1.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 7.0820 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 7.6290 0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 7.6820 -1.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 9.1240 -1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 9.5740 -3.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6800 10.6580 -3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 9.1840 -4.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 8.2940 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 8.6640 -4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 8.9500 -3.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 9.4700 -4.6350 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 9.4610 -6.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 10.5990 -3.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 8.0360 -4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 6.8200 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 5.7000 -4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 5.8090 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 7.0300 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 8.1510 -2.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 4.4240 -2.5560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.0250 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.4950 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 1.1690 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 1.8350 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.3110 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 1.8230 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 3.6350 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 3.6030 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 3.1780 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 3.0960 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 5.6120 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 7.0840 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 9.4090 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 9.5960 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 8.4530 -6.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 7.2530 -4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4060 9.5680 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 7.8570 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 6.7350 -5.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 4.7530 -4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 7.1190 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 9.1020 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 1.7110 0.9610 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2020 1.2880 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 50 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 50 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 50 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END