IFLAB-ZINC04139401 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -0.9640 -3.2060 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -2.2240 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -1.2020 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -1.3720 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -3.7960 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -3.6780 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -2.7760 3.7740 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0040 -3.8570 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -2.2600 5.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -3.0200 6.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -2.2380 7.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -0.9010 7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -0.5950 5.6130 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -2.2520 3.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0680 -1.1860 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -2.9910 1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -2.3740 4.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 -1.4600 4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 -0.5530 3.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3940 -1.6390 5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7120 -1.2870 4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7160 -1.4340 5.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4130 -1.9310 6.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 -2.2500 7.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 -2.1060 6.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4860 -2.0530 8.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -4.2390 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -2.9870 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -3.1390 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -1.2020 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.3420 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -1.1220 2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -0.3160 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -1.3410 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -0.5020 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -4.6890 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -3.9690 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -4.5230 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -3.6420 2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -4.0950 6.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -2.6360 8.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -0.0870 7.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 -4.0700 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 -2.8220 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 -2.6530 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 -3.1570 4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9670 -0.8990 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7370 -1.1550 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -2.6040 8.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 -2.3310 6.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5690 -1.1180 8.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2620 -2.8680 8.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4540 -2.2770 7.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -2.4030 0.8600 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2990 -2.4480 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -2.6160 3.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 56 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 54 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 56 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 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 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 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 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 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 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 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END