PUBCHEM-ZINC04794553 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.0280 1.4910 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -0.0230 0.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2080 -0.3090 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -0.6480 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -1.3630 -0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -0.5220 1.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.3650 2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 0.2230 2.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -0.9530 3.7480 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4380 -1.8940 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 0.0610 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -0.4760 5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 0.7340 5.3300 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 -0.1990 6.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -1.2380 4.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -2.2200 5.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -2.9950 5.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -2.1950 6.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -3.1810 7.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -3.0190 8.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -3.8400 8.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -3.6680 9.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -2.6720 10.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 -1.8450 10.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -2.0150 9.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.7960 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8710 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 1.9910 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -1.0360 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 0.3350 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 0.9830 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -0.6590 6.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -1.4100 4.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3350 0.3860 6.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8620 -0.3930 7.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -1.1450 6.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.6730 5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -4.1860 7.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -3.0420 8.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -4.6140 7.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 -4.3080 9.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -2.5370 11.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -1.0650 11.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -1.3550 9.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -0.3850 -2.2040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 45 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 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 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 45 -1 M END