IBS-ZINC02083414 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -0.2680 1.2750 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -0.2390 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.9350 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -0.7200 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -0.5600 -1.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -0.2010 -1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 0.3640 -0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -0.4700 -2.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -0.9210 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 -0.0800 -2.5990 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4510 -0.1810 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 1.3750 -3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 2.2940 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 4.0190 -2.5780 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 4.9380 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -0.9710 -3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 -1.5440 -4.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -1.1300 -3.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0570 -1.9090 -4.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8080 -2.9860 -3.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 -2.3260 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 -1.6190 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 -0.5220 -2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -3.3790 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -4.5380 -1.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.6170 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 1.7700 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.5160 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.6940 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -2.0130 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -0.5920 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -0.2240 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -1.7980 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -0.4790 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 1.6320 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 1.5000 -4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 2.0370 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.1690 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 4.6150 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 4.7470 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 6.0050 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 -2.3820 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7730 -1.2510 -4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 -3.6960 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 -3.5090 -4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2900 -1.5980 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9100 -2.3420 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 -1.1690 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 0.2470 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -0.0790 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -3.0290 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 -3.7390 -0.0280 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 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 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 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 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 23 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 51 52 1 0 0 0 0 M END