PUBCHEM-ZINC03204395 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.3950 1.2780 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.1710 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.7340 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -0.1040 1.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -1.9390 0.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -2.7960 0.4070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7100 -3.7710 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.9660 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -3.2580 -1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -3.8270 -3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -4.2660 -4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -4.7600 -5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -4.8260 -5.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -4.3990 -4.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -3.8930 -3.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -3.3960 -2.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -3.3210 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -3.0210 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -2.4340 0.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3850 -3.2020 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -1.2940 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -0.1490 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 0.8960 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7920 0.7960 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -0.3500 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 -1.3970 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4360 -0.4570 1.2340 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2300 0.4650 1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 -1.4660 1.8520 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6680 -2.1540 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -1.4770 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 1.6860 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 1.8710 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 1.3100 2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -0.2020 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.7630 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.0480 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -3.7930 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -4.2170 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -5.1080 -6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -5.2240 -6.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -4.4550 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -0.0700 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 1.7910 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 1.6130 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 -2.2930 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.3330 2.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -1.9010 2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 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 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END