IBS-ZINC04663621 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 62 0 0 1 0 0 0 0 0999 V2000 0.8240 0.4970 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -0.9820 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -1.2350 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -2.7130 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -2.9500 1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -4.3080 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -4.4430 3.0700 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3980 -3.7340 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -5.8670 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -5.9550 4.8450 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2520 -5.1710 5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -5.7740 5.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -5.8020 7.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -4.6360 7.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -4.6620 9.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 -5.8530 9.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -7.0180 9.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -6.9920 7.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -7.3020 5.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -8.2260 4.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 -7.4800 6.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -8.6990 6.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4080 -8.8780 7.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 -10.3680 7.6550 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -7.8830 8.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4660 -8.0320 9.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 -7.0000 9.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 -7.1510 10.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2480 -8.3280 11.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 -9.3570 11.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -9.2100 10.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -4.1680 3.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 1.1080 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 0.6770 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.7590 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -1.5930 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -1.2440 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -0.6240 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.9730 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -3.3240 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -2.9760 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -4.9520 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -4.6030 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -6.5640 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -6.1210 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -4.8180 5.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 -6.5820 5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -3.7060 7.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -3.7510 9.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -5.8730 10.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -7.9490 9.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -7.9020 7.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 -6.7640 6.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 -9.4150 5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 -7.0640 8.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3220 -6.0820 9.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 -6.3490 11.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9440 -8.4430 12.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 -10.2750 11.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 -10.0120 9.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -4.7620 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 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 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 M END