IFLAB-ZINC04519513 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.2840 0.9140 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.5320 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -1.5330 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -2.8790 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -3.2200 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.2360 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -0.8930 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -4.9370 -0.1980 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -5.0070 -1.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -5.5640 1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -5.5490 -0.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6870 -5.4760 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -7.0200 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -7.9110 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -8.1490 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -7.7040 1.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -9.0190 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -9.5630 1.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -9.0970 3.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -9.7700 4.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -11.0310 4.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -13.2300 4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -11.2570 6.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -4.6450 -1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -3.7370 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -3.0280 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -3.4260 -3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -4.6460 -3.2040 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 1.3000 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.5110 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 1.0440 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -1.2680 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 -3.6410 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -2.4980 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.1260 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -7.3740 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -7.1560 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -8.3820 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -8.6060 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -9.0340 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -10.0120 5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -11.6490 3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -10.7900 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -13.0500 4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -13.7040 4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -13.8510 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -10.3750 6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -10.9850 5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -11.9740 7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -3.5740 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -2.2670 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -3.0600 -4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -11.9020 5.3530 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1210 -12.1230 5.8370 H 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 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 1 0 0 0 0 14 38 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 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 53 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 53 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END