IFLAB-ZINC04101867 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -3.2610 1.5300 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 0.3230 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -0.3560 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -1.4910 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -1.9610 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -1.2970 -1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -0.1620 -1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -3.4130 -0.8930 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -3.5220 -2.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -3.4050 0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -4.6260 -0.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -4.9690 -1.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7920 -4.3730 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -6.4350 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -4.5850 -1.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3680 -3.4940 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -5.1790 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -4.5180 1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -5.3640 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -6.6450 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0920 -6.8200 0.5870 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -4.3780 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 -4.6650 -4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 -4.5330 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 -4.2340 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9680 -4.2710 -4.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 2.0830 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 2.2170 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 1.2250 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 0.0050 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -1.9980 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -1.6500 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 0.3520 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -5.1520 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -6.7950 -2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -6.5570 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -7.0910 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 -3.4710 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 -5.0500 3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -7.4870 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -4.8870 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -3.3010 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -4.2230 -5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -5.7420 -4.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 -5.6070 -2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 -4.0030 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 -3.1460 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -4.6130 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1550 -5.3450 -4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7330 -3.8490 -5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8250 -3.7500 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 -4.8500 -1.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -4.0450 -3.7350 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6290 -3.0290 -3.6850 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 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 32 1 0 0 0 0 7 33 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 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 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 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 52 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 53 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 52 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END