PUBCHEM-ZINC05138045 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1400 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -2.7440 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -2.3940 -1.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -3.2720 -2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 -4.3040 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -3.6280 -2.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -4.3970 -2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 -5.5940 -2.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 -3.7660 -2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -1.2220 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -0.3880 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7580 0.7700 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 1.0990 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 0.2710 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -0.8860 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0130 0.6270 -3.8050 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6730 1.6480 -3.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -0.1020 -4.7770 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -2.4640 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.4730 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -3.8280 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -2.3500 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -2.6770 -3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -3.7850 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -5.0110 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -4.8380 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1870 -3.7140 -3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6530 -4.3670 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8970 -2.7600 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -0.6440 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 1.4180 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 2.0040 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -1.5300 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END