OTAVA-ZINC06143916 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.2820 1.2510 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 0.4740 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 2.7870 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 3.6160 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 4.9180 -0.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 6.1580 -1.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 6.0450 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 7.1280 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 6.5510 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 5.1090 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 4.2810 1.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 7.1080 1.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 8.5720 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 9.3770 -0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 9.0380 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 10.0640 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 10.5140 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 9.9590 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 8.9440 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 8.4840 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 10.4910 -1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 10.0860 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 6.4930 -2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 6.8430 -3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 7.1800 -4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 7.1730 -5.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 6.8340 -4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 6.4980 -2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 7.6300 -6.9570 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 0.1920 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 1.6890 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 1.7760 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 0.8360 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -0.5490 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.5190 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 3.2230 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 2.7260 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 3.7590 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 3.0880 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 6.3840 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 10.5090 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 11.3090 -2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 8.5000 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 7.7110 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 10.3190 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 9.0220 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 10.6510 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 6.8670 -3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 7.4530 -5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 6.8360 -4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 6.2470 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 1.3590 -0.9480 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2610 0.9940 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 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 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END