PUBCHEM-ZINC01170072 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.1730 0.4300 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.9460 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -1.5580 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -0.7910 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.5910 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 1.1960 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -1.4070 -0.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -2.7930 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 -2.8350 -2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -1.8260 -2.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -3.9940 -2.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 -4.0010 -3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -4.2960 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -5.7010 -4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -6.0820 -3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -6.4460 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -5.2030 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -0.5690 0.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 0.3930 1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -1.5420 1.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 0.3360 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 0.4930 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 1.2030 -2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 1.7560 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8400 1.5990 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0800 0.8920 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5580 0.7290 1.3090 N 0 3 0 0 0 0 0 0 0 0 0 0 8.6740 1.1070 1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 0.2160 2.1450 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7580 0.9050 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -1.5420 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -2.6320 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 1.1900 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 2.2700 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -3.2000 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -3.3880 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 -3.0280 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -4.7720 -4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -3.6470 -4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -4.1010 -5.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -5.8950 -5.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -6.3380 -4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -5.2370 -2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -6.9350 -3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -7.2100 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -6.8360 -3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -5.3840 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -5.0330 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 0.0610 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 1.3260 -3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9840 2.3100 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7840 2.0300 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END