OTAVA-ZINC06143538 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 0.4230 1.8600 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 0.3320 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.2160 -1.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.5710 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -2.3590 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -3.7170 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -4.3540 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -3.5580 -2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -2.1690 -2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -4.6140 -4.1600 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -6.0290 -3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -5.6730 -2.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -7.3380 -3.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -8.5080 -2.9820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0700 -8.5260 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -9.7460 -3.7560 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9470 -9.1770 -4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -7.6960 -4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -6.9150 -5.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -9.8020 -5.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -10.5440 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -10.3280 -5.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -11.5840 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -12.3270 -3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -13.3000 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -13.5430 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -12.8120 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -11.8400 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -8.4730 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -8.8980 -1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -8.8660 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -8.4090 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -7.9840 -4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -8.0110 -4.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -8.3700 -2.8460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 2.1730 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 2.2160 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 2.2780 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -0.0240 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 0.0190 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -1.8880 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -4.3120 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -1.5600 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -10.3640 -3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -12.1380 -4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -13.8750 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -14.3060 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -13.0070 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -11.2730 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -9.2540 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -9.1980 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -7.6280 -4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -7.6750 -4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 21 22 2 0 0 0 0 21 23 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 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 M END