PUBCHEM-ZINC05246171 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -2.4880 -2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -3.8310 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -4.3460 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -5.7080 -3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -6.5740 -2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -6.0520 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -4.6890 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -8.0350 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -8.4860 -4.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -8.8680 -2.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -10.3180 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -11.0170 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -10.3710 -0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -12.3580 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -12.9640 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -14.4650 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -14.9740 -1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -15.3130 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -14.7300 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -15.5310 3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -16.9090 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -17.4940 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -16.7060 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -18.9680 1.7380 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2600 -19.6650 2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -19.4840 0.7790 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -3.6760 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -6.1070 -4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -6.7180 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -4.2850 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -8.5070 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -10.6120 -3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -10.5960 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -12.6400 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -12.6570 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -13.6540 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 -15.0820 3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -17.5310 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -17.1640 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 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 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END