OTAVA-ZINC00084828 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.7550 -2.4580 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -2.0260 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.4990 1.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2920 -0.0720 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -0.0680 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 0.1460 2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 0.0770 0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 0.4950 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.0800 2.6200 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.8160 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 2.7050 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 2.4170 4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 3.5020 5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 4.9620 4.1400 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 4.0650 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 4.4750 1.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 3.6150 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 2.3160 1.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 3.4770 6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 2.0490 6.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.0850 6.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 1.0040 4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -1.9600 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -3.5380 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -2.1830 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -2.4500 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -2.3820 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 1.4640 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -0.2400 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 0.5740 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 3.9820 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 3.7940 7.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 4.1480 6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 1.9770 7.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 1.7940 5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 1.4500 7.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.0960 6.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 0.4940 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 0.4560 4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END