NCID-ZINC05120912 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.5280 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -0.1490 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.9990 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 1.3500 1.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 0.5980 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -0.5670 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -0.9070 0.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -1.3660 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -0.9490 -0.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 0.1560 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 0.9100 0.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 0.5330 0.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -2.5120 -1.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -0.5190 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -0.2950 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -0.8070 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -1.5480 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -1.7810 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -1.2630 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -1.5030 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.0550 -2.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -2.2190 -3.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -2.4570 -4.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4750 -1.5840 -4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.7070 -5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -1.4400 -6.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -1.6860 -7.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -2.7650 -7.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -3.6620 -4.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -4.2600 -3.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8420 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8260 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8160 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -0.1040 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -1.6130 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 1.6070 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -0.0040 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 1.3350 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.8020 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -3.0280 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 0.2810 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -0.6300 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -1.9450 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -2.3590 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -2.5760 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -2.9720 -6.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -3.5240 -5.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -1.1750 -5.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -0.6230 -6.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -0.7070 -7.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -4.0710 -5.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -4.8480 -4.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -0.9120 -8.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 16 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 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 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END