PUBCHEM-ZINC03013799 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.5070 1.0710 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -0.3410 -0.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -1.1990 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -0.8790 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.7600 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -1.3170 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -2.0070 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -2.1470 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -1.5560 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -1.6260 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -2.2840 -3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -2.8830 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -2.8070 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -3.5660 -2.5630 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 -4.1800 -3.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -4.3550 -1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -2.2150 -2.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 -1.3630 -3.6970 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3790 -1.5880 -4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 0.1200 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 0.5450 -2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 2.0350 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 2.8690 -2.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 2.3900 -1.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 3.3700 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 1.7100 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5620 -1.7180 -4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 -2.3870 -3.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 1.4070 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 1.6790 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 1.2700 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -1.0920 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -2.2590 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -0.9170 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -0.2530 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -1.2250 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -2.4150 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -1.1370 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -2.3160 -4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -3.3870 -4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9730 -2.5390 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 0.7210 -4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9380 0.3470 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 0.0660 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 0.2370 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8370 -1.3120 -5.3970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 38 1 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 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 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 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 46 -1 M END