PUBCHEM-ZINC06389759 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 -0.4620 1.9060 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 1.8830 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 2.0900 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 2.0260 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 1.8540 -3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 1.7090 -3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 1.7080 -2.0170 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2570 1.9500 -5.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 3.2520 -5.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 4.3840 -5.5330 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 4.7670 -4.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 2.3320 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 4.2070 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 5.6220 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5090 6.0850 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6400 7.4460 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0900 7.8720 -1.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.6280 7.8870 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2650 9.2450 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0750 9.0760 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 2.3770 -0.2880 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9520 1.1680 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 1.6600 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 2.9020 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 1.6150 -4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 1.2630 -5.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 1.6140 -5.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 2.1670 -3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 1.7020 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 3.5200 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 4.1640 -3.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 5.6510 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 6.3100 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 6.1480 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1040 5.3330 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1510 7.4160 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 8.1990 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 1.6050 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 5.4860 -6.4470 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4320 3.6580 -5.9830 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5780 3.7440 -2.5520 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1650 3.8700 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 4.3320 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6530 10.2390 -0.9830 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.8240 6.8760 -0.3640 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.2600 7.5790 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2230 6.2790 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5810 6.3640 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 21 1 0 0 0 0 4 5 1 0 0 0 0 4 12 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 25 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 7 1 M CHG 1 21 -1 M CHG 1 39 -1 M CHG 1 40 -1 M CHG 1 41 1 M CHG 1 44 -1 M CHG 1 45 1 M END