PUBCHEM-ZINC05817461 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.0630 1.0880 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -0.4000 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.9940 1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -0.6710 0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0010 -1.7370 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 0.1490 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 1.0360 0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.3830 -1.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 0.4400 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -1.1110 -2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -2.1360 -2.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -0.5540 -3.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.1570 -4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -0.5480 -5.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.4620 -6.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 1.0750 -7.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 0.6950 -7.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2350 -0.3060 -6.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -0.9260 -5.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5180 -0.7610 -6.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 -0.0750 -7.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 1.2280 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 1.5230 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 1.6600 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.9020 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -0.4620 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.0500 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.9330 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 0.3180 -3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -0.9960 -5.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -2.2400 -4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 0.7880 -6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 1.8610 -8.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 1.2030 -8.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -1.6950 -5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3710 -0.2000 -8.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4870 -0.5210 -7.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 0.9840 -7.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -0.1710 2.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 39 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 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 39 -1 M END