PUBCHEM-ZINC02954867 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 1.7410 0.6590 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 2.5270 2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 2.9920 4.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 1.6080 3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.1430 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 3.4760 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 5.0010 4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 5.5600 3.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 6.9870 3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 7.4730 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 7.1440 2.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 7.5080 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 8.1690 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 8.5380 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 8.2500 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 7.5920 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 7.2160 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 6.5060 2.5070 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0620 6.2490 2.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 6.1790 3.4670 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7960 0.6280 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 1.3140 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.3460 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 3.2070 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 2.5200 3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 2.3280 4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 4.0080 4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.6150 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 0.9280 4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 0.1260 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.8070 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 3.0540 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 3.1910 4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 5.3740 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 5.2880 4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 7.4020 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 7.3160 3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 8.5540 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 6.9890 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 8.3950 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 9.0520 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0280 8.5390 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0690 7.3680 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 1.1710 2.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 2.9640 3.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 44 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 45 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END