PUBCHEM-ZINC05957461 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -2.0000 0.8090 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 0.9960 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 2.9530 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 3.5510 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 5.0990 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 5.1330 1.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 3.7700 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 2.9700 3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 3.6430 4.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 3.1770 6.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 3.7550 7.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 3.3690 8.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 2.3990 8.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 1.8200 7.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 2.2140 6.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 1.9820 10.2530 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4750 2.4170 11.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 1.2170 10.6060 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.2680 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 1.2520 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 0.9920 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 1.3790 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -0.0970 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 1.3970 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 3.3240 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 3.2590 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 5.6450 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 5.5350 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 3.1870 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 3.7450 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.9020 3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 3.1050 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 4.5090 6.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 3.8320 9.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 1.0680 8.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 1.7540 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 1.4340 1.2410 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3460 1.0420 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 37 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 37 1 M END