IBS-ZINC00754222 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 50 0 0 1 0 0 0 0 0999 V2000 -0.0290 1.4510 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.0240 0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.6130 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 0.1360 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -0.4570 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -1.8300 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.6130 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -2.0100 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -2.7450 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -3.1550 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -4.0250 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -4.9580 0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -4.1340 0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -2.7870 0.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2790 -2.6920 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -2.6440 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 -3.6860 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -3.1540 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 -3.7520 3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 -2.9300 4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8630 -1.5720 4.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1290 -0.9550 3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2770 -1.7650 2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 -1.4920 1.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 -0.6160 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -5.1140 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -5.3250 0.5000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7540 -5.4540 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -6.5420 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -6.5400 1.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 1.8310 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.8430 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 1.7690 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 1.2130 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 0.1370 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -2.2750 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -3.7690 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -3.7340 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8690 -4.8100 4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3660 -3.3560 5.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5340 -0.9740 4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2130 0.1050 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -5.3400 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6130 -5.7820 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 -7.6290 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -8.3850 -0.0600 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 45 46 1 0 0 0 0 M END