IBS-ZINC06143670 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 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 1.2300 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.0460 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.7510 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -4.0460 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -4.2100 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -2.9780 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -2.0570 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -0.6920 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -5.5090 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -5.5410 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -6.7530 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -7.9340 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -7.9080 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -6.7020 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -9.4160 0.2020 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -9.0960 0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -10.3840 0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -9.8940 -1.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -9.4640 -2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -10.7020 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -11.4340 -3.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -11.9390 -2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -10.7680 -2.0960 C 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 2.1580 -0.1340 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -2.5820 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -2.7680 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -0.1570 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -4.6200 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -6.7790 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -8.8790 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -6.6830 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -8.7690 -2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -8.9770 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -10.3930 -3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -11.3330 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -12.5190 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -12.5740 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -11.1450 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -10.2070 -2.9130 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 1 0 0 0 0 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 32 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 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END