IBS-ZINC04023762 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 57 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 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 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -1.9570 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -2.5560 -0.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3240 -2.1020 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -4.0580 -0.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9410 -4.5060 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -4.7020 -0.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6000 -4.2900 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -4.4030 1.0490 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0010 -4.8570 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -2.8870 1.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2900 -2.4380 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -2.3470 1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2290 -2.5810 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -1.1460 2.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 -0.7080 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -1.4980 4.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 0.7680 4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 -4.9470 1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4100 -5.3390 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7120 -5.2310 3.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7970 -5.9130 2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -6.1380 -0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 -6.7720 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 -6.1470 -1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8280 -8.2620 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -4.2740 -1.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -4.2620 -1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.0720 -0.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -4.4840 -3.2230 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 0.5120 -0.3560 -0.8950 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -3.0690 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -2.9530 3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 1.0580 3.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 0.9890 5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 1.3260 3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7560 -6.9940 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 -5.6850 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -5.4770 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -8.7640 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 -8.5940 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -8.5050 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -4.4260 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -3.7110 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -4.4400 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -5.4640 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 M END