OTAVA-ZINC02888956 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.7510 1.0200 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.3010 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -0.9520 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -1.7500 1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -3.0710 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -3.5590 -0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -3.8370 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -5.1730 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -5.5160 3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -4.2850 4.4410 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -3.2240 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -1.9470 3.4810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.2540 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 0.4320 2.7460 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 0.4830 4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 1.9110 4.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 2.7230 5.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 2.2010 5.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.5530 4.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 3.4640 5.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6240 4.2800 5.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 3.3900 7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 3.2330 8.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 2.0390 8.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 1.8980 9.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 2.9490 9.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 4.1410 8.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 4.2840 8.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 3.7560 5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 2.7590 4.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -6.9080 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -7.5080 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -6.3070 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 1.7340 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 1.4170 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -0.9670 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -1.6050 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -0.2210 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 0.1540 5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -0.1770 4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 2.5600 7.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 4.2930 7.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 1.2110 8.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 0.9660 9.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 2.8390 10.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 4.9590 8.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 5.2160 7.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -7.4480 4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -6.9340 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -8.0300 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -8.2370 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -6.1500 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -6.4720 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 4.9240 5.3700 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 13 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 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 M CHG 1 54 -1 M END