IBS-ZINC04825271 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -1.3160 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -1.8260 -2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -2.6160 -2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -2.9100 -2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 -2.4130 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -1.6160 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -0.9420 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -0.9500 1.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -0.2520 2.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -0.2610 3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8480 -0.8730 2.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9870 0.4900 4.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 0.3260 5.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6510 0.9130 6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8230 1.5810 6.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9920 0.7490 6.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3120 1.3380 7.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6600 1.1720 8.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6160 0.4060 7.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8770 0.2560 8.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2060 0.8600 9.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2730 1.6200 10.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9960 1.7780 9.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0780 2.5190 10.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4920 3.1050 11.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -0.2620 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 0.4070 1.9840 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -1.6020 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -3.0070 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -3.5290 -3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -2.6420 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 0.2380 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 0.0980 5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 1.5490 4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9910 -0.2060 4.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7270 0.1560 6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 1.9300 8.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3640 -0.0670 6.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6140 -0.3360 7.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1970 0.7370 10.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5370 2.0880 11.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3340 3.7740 11.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7930 2.3180 12.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6640 3.6690 12.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 M END