IBS-ZINC02364883 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0090 1.3810 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.0000 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -0.6810 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 0.0190 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.4000 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0860 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4840 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 4.1440 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 3.5270 1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 5.6170 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 6.4390 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 7.7180 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 7.6350 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 8.3920 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 6.4070 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 8.9530 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 8.9760 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 10.1320 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 11.2700 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 11.2570 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 10.1020 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 10.0880 1.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 10.1610 0.8430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -2.4420 -0.0430 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -2.8390 0.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.8590 0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -2.9170 -1.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -3.1220 -2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -4.5250 -2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -4.6940 -3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -4.5450 -3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -3.1480 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.9110 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.5490 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -0.5160 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 1.9450 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 3.9800 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 6.1240 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 8.0920 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 12.1700 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 12.1470 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 10.3430 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -2.3770 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.0300 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 -4.6540 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -5.2700 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -3.9330 -4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -5.6830 -4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -4.6890 -3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -5.2910 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -3.0730 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -2.4050 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END