IBS-ZINC04037891 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0320 1.0590 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 1.5590 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 1.7560 -2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 1.8120 -1.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5180 3.2710 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 3.8040 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 4.9500 -2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 2.8550 -2.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 1.5800 -2.5340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1140 1.2710 -3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 0.5260 -2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -0.7730 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -1.7400 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -1.4080 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -0.1080 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 0.8570 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 3.0550 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 4.2710 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 4.4720 -5.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 3.4540 -6.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 2.2350 -6.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 2.0420 -5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 3.6670 -7.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7410 4.7270 -8.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 3.8810 0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.0310 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.4200 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.4260 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -1.0330 -3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -2.7550 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6870 -2.1630 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 0.1520 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 1.8720 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 5.0570 -3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 5.4150 -5.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 1.4470 -7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 1.1020 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 1.1720 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 2.6850 -8.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 2.8700 -9.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 39 40 1 0 0 0 0 M END