BACHEM-ZINC04899469 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 59 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1840 -0.2350 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -2.0110 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -2.5140 0.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -2.7930 1.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -4.2510 1.4480 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9860 -4.7100 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -4.6700 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -4.3220 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -4.7400 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -4.3920 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -4.7030 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -3.9150 2.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -5.9830 2.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -6.4230 3.6670 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4550 -5.6130 4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -7.6370 4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -7.2310 5.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -7.3110 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -6.9400 5.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -6.4850 7.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -6.4050 7.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -6.7840 6.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -6.1180 7.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -6.7980 2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -6.7080 1.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -2.3900 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -4.1410 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -5.7440 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -4.8500 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -3.2470 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -4.2120 -2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -5.8150 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -4.9210 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -3.3180 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -5.7750 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -6.6130 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -8.4140 3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -8.0180 5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -7.6650 3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -7.0020 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -6.0520 8.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -6.7260 7.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -6.8400 8.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -0.1480 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -0.1670 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -4.7940 -4.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -4.5750 -5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -7.2330 3.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 0.0930 1.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 1.0940 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 -7.4620 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 57 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 54 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 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 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 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 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 30 53 1 0 0 0 0 43 54 1 0 0 0 0 52 57 1 0 0 0 0 54 55 1 0 0 0 0 56 59 1 0 0 0 0 57 58 1 0 0 0 0 M END