PUBCHEM-ZINC04526772 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.7050 1.1690 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -0.0870 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.1600 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -2.4490 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.8260 -1.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -3.9360 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -4.6230 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -4.3230 -1.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6800 -3.8560 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -3.8420 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -4.9300 -0.8580 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -6.3500 -1.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9450 -7.0940 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -5.7760 -1.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -6.5340 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -6.0100 -1.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -7.9890 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -8.8420 -2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -10.1590 -2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -10.3790 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -8.9160 -1.4280 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -6.9670 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -8.0070 -2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 -8.5740 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -8.0990 -4.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -7.0580 -4.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -6.4890 -3.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 1.4500 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 1.0850 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 1.9310 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -1.2920 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -0.9280 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -3.2470 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.2890 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -2.2760 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -4.0350 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -2.7900 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -8.5150 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -10.9580 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -11.3520 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -8.3780 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -9.3870 -3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -8.5420 -5.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -6.6880 -5.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 -5.6740 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 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 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END