PUBCHEM-ZINC05631681 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.5370 3.3870 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 1.9800 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 1.6220 -2.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 1.1250 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 1.4190 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 2.1340 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 0.7680 0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 0.8880 1.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4860 1.0710 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 1.9720 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 3.3670 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 4.1800 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 5.3650 1.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 6.1380 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 5.3570 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 4.1160 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 3.8470 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 4.8200 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 6.0480 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 6.3410 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -0.4000 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6430 -1.0910 0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 3.4240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 4.0370 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 3.8180 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 0.1380 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 0.7020 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 0.1240 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 1.7740 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 1.9360 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 4.0040 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 2.8890 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 4.6090 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 6.7890 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 7.2950 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4650 -0.5980 2.2840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 36 -1 M END