PUBCHEM-ZINC02575521 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -0.0720 1.3540 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.0260 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -0.6810 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.0540 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 1.4340 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 2.0840 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 3.5900 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 4.0830 1.5030 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0200 3.6700 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 5.5880 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 6.2400 1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.0390 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -2.6790 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -1.9500 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.6030 -3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -3.9830 -3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -4.7120 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -4.0640 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -4.8450 0.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0150 -6.0600 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.2730 1.0280 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8580 -4.6800 -4.5000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2310 -4.0390 -5.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -5.8960 -4.5060 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0210 1.8640 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -0.5960 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -0.4530 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 2.0060 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 3.9890 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 3.9290 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 4.0150 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.8720 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.0360 -4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -5.7890 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 6.2040 1.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 3.6450 2.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 2.6390 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 7.1710 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 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 10 1 0 0 0 0 8 36 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 31 36 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END