IFLAB-ZINC00937621 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6460 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.0130 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -0.8610 1.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -1.7800 2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.1470 -0.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.6060 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 0.8800 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 2.0180 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.9300 2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 2.6420 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 1.4780 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 3.9410 -0.2500 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 4.7640 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 4.0870 2.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 5.9680 1.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7090 6.5140 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 5.9500 3.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 7.8240 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 8.1920 3.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5410 9.3580 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 9.7740 4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 10.9590 5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9400 11.7310 3.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 11.3140 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 10.1280 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 12.8980 4.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8780 13.6430 2.8610 C 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.5750 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 0.1400 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -2.0840 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.7980 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.1290 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 0.1900 3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 2.2180 4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.2610 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3640 6.4190 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 7.7200 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 8.5960 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7460 9.1720 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9880 11.2830 6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7360 11.9160 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 9.8010 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9300 13.9120 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4310 14.5490 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4640 13.0360 2.1710 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END