IFLAB-ZINC04120649 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.7640 0.6300 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -0.5350 -1.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -1.0150 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -0.3810 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -0.8710 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -1.9970 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -2.6400 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -2.1510 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.8300 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -2.1800 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -4.1720 -0.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -5.0900 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -6.4780 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -6.1900 -0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -4.9180 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -4.2020 -0.2230 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -5.6960 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3060 -5.3180 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 -5.0450 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2780 -4.6980 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 -4.6250 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 -4.8990 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 -5.2500 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1020 -4.8210 2.0600 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2810 -4.5140 2.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -5.0620 3.1150 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1260 0.9080 -2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 1.4510 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 0.4200 -3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 0.4970 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -0.3730 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -2.3730 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -3.5170 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -4.8780 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -5.0260 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -6.9560 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -7.1050 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -6.2090 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -6.3580 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -5.1020 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7730 -4.4830 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0270 -4.3530 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 -5.4680 1.7330 H 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 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END