OTAVA-ZINC02888957 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.7510 1.3970 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 0.1520 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -0.4120 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -1.4880 1.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -2.7570 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -2.9950 0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -3.7970 1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -5.1670 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -5.8110 3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -4.8240 3.9440 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -3.4650 2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -2.2370 3.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -1.2970 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 0.3270 2.6480 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 0.1100 4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 1.3700 4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 1.5750 3.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 2.2370 5.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 2.1040 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 3.4560 5.8240 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2570 3.8620 5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 3.1870 7.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 2.2590 7.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 2.6970 6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 1.8400 6.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7280 0.5400 6.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5580 0.0940 7.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4610 0.9490 7.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 4.5220 6.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 4.0580 6.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -7.2540 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -7.4930 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -6.0980 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 2.0970 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 1.7440 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -0.5040 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.8140 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 0.3610 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 -0.1130 4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -0.7150 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7040 4.1260 7.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 2.7770 7.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 3.7060 6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7080 2.1880 5.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 -0.1250 6.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 -0.9220 7.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5550 0.5880 7.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -7.8880 3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -7.4440 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -7.8980 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -8.2150 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -5.9400 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -6.0090 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 5.6970 6.3960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 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 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 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 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 M CHG 1 54 -1 M END