PUBCHEM-ZINC04132789 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.3890 1.5480 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 0.1900 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -0.2350 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -1.4910 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -2.3460 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -1.9450 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -0.6800 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -0.3150 -2.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 0.5860 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -1.1250 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.8310 -4.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.4410 -3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -2.8240 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -3.2530 -4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -3.8260 -6.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -3.8110 -7.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -2.5970 -7.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -2.5620 -8.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 -3.7460 -8.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -4.9280 -7.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -4.9960 -7.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -5.9770 -7.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 -5.3200 -8.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -3.9000 -8.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 2.1600 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 1.4540 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 2.0830 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 0.4130 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -1.8020 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -3.3180 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -3.7790 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -2.8340 -5.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -4.3020 -4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -4.8480 -6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -3.2340 -7.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -1.6690 -7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -1.6350 -8.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -5.9510 -6.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1570 -5.7730 -9.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7990 -5.4810 -7.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -3.2580 -5.2740 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0690 -3.7350 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -2.2600 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 41 1 M END