PUBCHEM-ZINC06779240 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -4.0340 1.0540 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.3040 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -0.1700 2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -1.5220 3.5250 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0940 -1.9880 3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.1930 4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -1.1160 4.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -3.8170 2.8820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2160 -3.9340 3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -4.4390 2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -4.5950 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -4.4450 0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -5.5650 2.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -5.7980 3.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4000 -5.9750 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -4.6180 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -4.6250 4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -5.9720 5.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -7.0360 4.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -7.1280 3.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9840 -7.7500 4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -7.7780 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -6.5920 1.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0970 -6.8540 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -6.2410 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -5.1260 1.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 0.9360 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 1.6910 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 1.5700 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -0.8020 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -0.9240 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 0.3200 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 0.5010 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -4.2580 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -5.5250 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -4.0450 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -3.6600 4.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -4.6340 5.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -4.3730 3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -3.8440 5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -5.9330 5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -6.2190 6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -6.8330 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -8.0110 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -8.5070 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -8.3060 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -1.0440 5.8150 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5260 -2.3850 2.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.0680 2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -7.1520 0.0520 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 48 1 0 0 0 0 6 7 2 0 0 0 0 6 47 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 48 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 50 -1 M END