OTAVA-ZINC06142504 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.3820 1.2540 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.2480 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -0.6610 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -2.1400 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -2.7990 0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.7300 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -4.1200 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -4.9580 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -6.3260 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -6.8840 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -6.0420 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -4.6610 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -6.9420 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -8.2060 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -8.1580 0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -9.4690 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -6.5560 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -6.3710 3.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -6.4060 4.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -6.0230 5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -5.9020 7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -1.8120 -0.2900 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 -2.6280 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -0.5470 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -1.5320 -2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -2.4190 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 -2.1990 -4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 -1.0920 -4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -0.2050 -3.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -0.4230 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -0.7910 -6.6220 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 1.5480 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 1.4790 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 1.8040 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -0.7980 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.4740 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.1110 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.4350 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -4.5300 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -6.9660 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -4.0140 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -9.7500 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -10.2700 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -9.3000 3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 -5.0630 5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -6.7800 6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -5.6140 7.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -6.8610 7.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -5.1450 6.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -3.2840 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -2.8920 -4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 0.6600 -4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 0.2720 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M END