PUBCHEM-ZINC01847068 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0850 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7780 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0930 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6970 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0440 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 0.3630 -3.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 0.3660 -3.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 1.1010 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 1.3370 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 2.1140 -6.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 2.8180 -7.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 4.1760 -7.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 4.1360 -7.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 3.4310 -5.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 4.8720 -8.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 6.1810 -9.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 6.8620 -10.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 6.2100 -11.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 4.9110 -11.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8490 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2850 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8270 2.4670 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9800 -3.1470 3.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -3.1180 2.9830 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0260 0.0450 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 0.1120 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 2.0600 -4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 0.5200 -5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 0.3780 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 1.9180 -3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 2.6590 -5.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 1.0970 -6.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 2.2580 -8.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 2.8750 -8.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.5900 -7.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 5.1530 -7.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 3.3740 -5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 3.9920 -5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 6.6580 -8.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 7.8790 -10.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 6.7140 -12.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 4.4000 -12.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -3.0450 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.2550 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.7940 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -4.6630 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6430 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -4.6390 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 0.2110 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.5420 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 1.0040 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 2.0740 -6.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 4.2830 -10.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 58 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 59 2 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 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 59 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END