IBS-ZINC04084553 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.9170 0.8070 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -0.5070 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.5940 1.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8330 -1.2110 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -1.2740 1.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -0.9020 1.5470 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7820 0.0480 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.7270 -0.2250 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -2.0130 2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -2.2970 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -3.3780 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -4.1500 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -3.8570 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -2.7880 2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -2.2930 2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -2.7820 3.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 0.7610 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 1.4650 2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.1060 2.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 2.3540 2.6860 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3650 2.7040 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 3.4320 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 4.0360 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 4.4260 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 5.0280 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 5.2700 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 4.9090 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 4.3000 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 2.1180 3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 1.1290 2.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -1.6850 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 0.9880 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 0.7900 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 1.6640 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -1.7000 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -3.6250 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 -4.9850 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -4.4510 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 0.4820 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 4.2730 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 3.0040 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 4.2540 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 5.3060 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 5.7420 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 5.1030 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 4.0310 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -1.6150 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -2.6510 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -1.6990 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 2.9280 4.1880 O 0 5 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 8 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 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 19 39 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 40 1 0 0 0 0 22 41 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 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M CHG 1 50 -1 M END