PUBCHEM-ZINC05384364 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.4570 1.9090 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 0.5830 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 0.8010 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -0.2880 0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 0.1200 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 0.3830 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -0.8490 2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -1.4510 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -2.2130 -0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -1.8230 -1.7160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0150 -0.9230 -2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -2.7100 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -3.4200 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -3.5290 -3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -2.9850 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.5650 -2.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6590 -3.4600 -2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -1.7110 -3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -0.4690 -3.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 2.5070 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 1.7340 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 2.5080 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 0.0980 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.1580 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 1.3260 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 1.4000 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 1.0840 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -0.5320 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 0.8450 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 1.0650 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -1.0230 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -0.4370 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -1.8200 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -2.0980 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -3.4640 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -3.8600 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -4.0410 -4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -2.1420 -4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -3.7560 -4.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -2.3590 -4.4820 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 M CHG 1 40 -1 M END