PUBCHEM-ZINC06383455 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.4030 1.3860 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 1.0940 -0.9910 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6800 1.5140 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 1.0440 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.3260 -2.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -0.1360 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 0.3680 -2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.2840 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -0.0930 -1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -1.1710 -3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -2.5510 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -3.3540 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -2.8470 -5.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -1.5310 -6.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.6280 -5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.7490 -5.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.2120 -6.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 0.3300 -7.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -1.0170 -7.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -5.1050 -4.4740 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -5.6080 -6.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -7.1120 -6.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -7.7780 -5.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -7.7160 -7.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -9.1780 -7.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -9.8310 -8.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -9.7930 -8.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 2.3050 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 0.5630 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 1.5070 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 2.1260 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 1.2120 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -3.0030 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 1.4420 -4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 2.2760 -6.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 0.7200 -8.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -1.6880 -8.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -5.1850 -6.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -5.2460 -6.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -7.1840 -8.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -9.7090 -6.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -9.1730 -9.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -10.7920 -8.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -10.7300 -8.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -9.1110 -9.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 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 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 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 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 2 1 M END