OTAVA-ZINC05414387 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0230 1.5020 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.7550 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.1330 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.9830 1.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.5690 3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.2540 3.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.3100 2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 0.8750 2.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -0.8550 4.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0660 0.2320 5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -1.3850 5.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -1.4260 5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -2.0980 5.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -1.1900 6.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -1.7720 7.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -1.3960 9.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 0.1180 9.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -2.1100 9.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.4340 -0.7900 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.7140 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.1340 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 1.0740 -2.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.9390 -3.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -0.3910 -4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 0.8410 -5.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 1.3800 -6.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 0.6940 -7.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -0.5330 -7.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -1.0800 -5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.8600 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 1.8500 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -3.3010 4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -0.9720 5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -1.0890 6.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -2.4730 5.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -1.3910 7.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -2.8560 7.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -1.6980 9.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 0.3850 10.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 0.6260 8.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 0.4200 8.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -3.1880 9.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -1.8420 10.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -1.8080 9.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.8990 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 1.3780 -4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 2.3380 -6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.1170 -8.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -1.0660 -7.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -2.0410 -5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 21 2 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 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 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 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 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END