OTAVA-ZINC05284593 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -1.0820 -1.0380 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -0.5320 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.0620 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -0.9560 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -0.3240 -1.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0370 -0.7120 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -0.8300 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -0.1120 -3.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 1.1650 -1.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 1.7500 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 1.1760 0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 3.2200 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 4.0140 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 5.4710 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 6.1720 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 7.5510 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 8.2220 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 7.5340 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 6.1560 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 9.6580 -0.1300 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4210 10.2340 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 10.2170 -0.9200 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9850 3.6970 -1.5450 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 2.0360 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 1.7190 -3.2690 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -0.6320 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.1310 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -0.7280 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.5620 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.1540 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.6590 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.7770 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -2.0500 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.7370 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 3.5990 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 5.6410 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 8.0740 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 8.0450 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 5.6130 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -1.9000 -3.1060 O 0 5 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 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 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 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 40 -1 M END