IBS-ZINC05461104 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0750 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7500 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.1770 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.7560 -3.7320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8630 -4.3360 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -6.2770 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -6.8200 -5.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -7.0170 -5.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -7.5490 -6.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -7.6570 -6.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -7.2340 -5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -7.2120 -5.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -7.6880 -6.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -7.5560 -5.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -7.8470 -7.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -7.6220 -7.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 -7.8890 -8.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -7.1080 -6.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -6.7980 -5.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -6.3330 -4.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 -6.8830 -6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -8.4080 -9.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -4.4270 -4.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6260 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8520 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1430 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -4.5020 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.5280 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -6.5290 -3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -6.7050 -3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -6.8800 -4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -7.0910 -7.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -8.7330 -6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5070 -8.1530 -4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -6.5100 -5.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 -8.9800 -7.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -7.1880 -7.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 -5.8240 -5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 -7.4680 -5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -7.5980 -9.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -9.0460 -9.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -8.9970 -9.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -4.7690 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 -8.0330 -6.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 -7.9560 -6.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 46 54 1 0 0 0 0 54 55 1 0 0 0 0 M END