IBS-ZINC02133434 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 1.7830 1.8130 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 0.5180 -0.1890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0870 0.8300 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -0.2980 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.4260 -1.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 0.3610 -2.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -0.1410 -3.9890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6470 -0.7060 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -0.9980 -4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.3250 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -3.3640 -4.1960 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -4.7930 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 1.0630 -4.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.1590 -4.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.3430 0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.9050 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -0.7430 1.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -1.7440 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -2.3190 3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -3.1060 4.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -3.3160 5.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -2.7400 4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.9550 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -1.3830 2.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -1.5410 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.5930 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -0.1550 0.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 1.6510 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 2.5360 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 2.2780 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 1.3100 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.4300 -4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.2030 -5.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -2.8680 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -2.1560 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -4.5010 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -5.5510 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -5.2280 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -2.1590 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -3.5560 5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -3.9290 5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -2.9130 4.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.8090 -6.1840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 15 16 1 0 0 0 0 15 26 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 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 43 -1 M END