PUBCHEM-ZINC04675475 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 0.9180 1.1630 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -0.2770 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.8110 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -2.1280 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -2.9320 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.3950 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -1.0650 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -0.4780 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -3.1940 -2.1660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9560 -2.7800 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -3.1560 -2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -4.2750 -2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -5.2380 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -4.6750 -1.8950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9740 -5.1100 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -4.9540 -0.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0950 -6.0220 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -4.2450 0.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -4.6130 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -3.4140 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -3.1000 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 -3.9860 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -5.1840 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -5.4960 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -6.7770 -2.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6550 -7.6050 -2.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -7.0030 -1.9390 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3890 -2.6960 2.8260 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9270 -2.0170 3.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -3.8430 3.0740 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0050 1.2300 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 1.5550 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 1.7470 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -0.1970 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -0.6180 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.9770 -3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 0.5870 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -2.3180 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -4.4860 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -6.2410 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -5.2440 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -4.3150 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -2.7220 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -2.1640 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 -3.7410 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -5.8760 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 28 1 M CHG 1 30 -1 M END