PUBCHEM-ZINC04097500 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -0.2540 0.9080 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.3760 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -1.5260 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -1.5110 -0.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5980 -1.9740 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -1.7050 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -1.7350 1.2930 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4820 -2.4590 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -2.1990 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -1.2930 3.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -0.4240 1.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -0.0570 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -0.7300 -1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 1.2790 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 1.3460 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9250 2.5070 -1.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4030 3.4580 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9350 2.6610 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 2.6720 -1.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 1.4360 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 1.4620 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -1.9740 -1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.5790 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.6600 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -0.9270 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 0.1950 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 1.4220 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 2.0700 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 1.4300 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 0.4040 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -3.4170 2.8400 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.5000 2.7620 -3.4220 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.7650 2.2840 0.1560 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6400 2.9830 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 1.3250 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7290 2.4370 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M CHG 1 33 1 M END