PUBCHEM-ZINC02978957 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 -0.4970 1.4450 -3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 -0.0310 -3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -0.9440 -4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.2960 -4.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -2.7440 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -1.8180 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.4680 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -4.1920 -2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -4.9960 -3.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -4.6210 -1.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -5.9890 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -6.4150 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -7.8500 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -8.6600 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -10.0040 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -10.5540 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -9.7590 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -8.4120 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -10.3560 2.9510 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1650 -11.5460 3.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -9.6590 3.6460 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2210 -6.9650 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -7.2740 -2.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -7.5180 -2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -7.2200 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -8.5690 -3.5370 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6170 -9.2280 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -9.3790 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -10.0710 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -10.7790 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -11.0980 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -7.9420 -4.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -6.7400 -5.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 1.7700 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.9940 -3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 1.6410 -4.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -0.5960 -5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -3.0080 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -2.1580 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 0.2500 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -3.9800 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -5.7010 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -8.2330 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -10.6310 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -11.6070 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -7.7920 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -8.7120 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -10.1300 -4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -9.3280 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 -11.5210 -2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -11.2720 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 -10.0470 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -11.5910 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -11.8410 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -10.5940 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -8.7180 -6.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -8.2700 -6.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 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 41 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 42 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 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 46 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 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END