PUBCHEM-ZINC06389756 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 0.1320 1.8060 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.7970 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 1.8860 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 1.8570 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 1.7970 -3.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 1.7610 -3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.7470 -2.6210 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5360 1.8910 -5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 3.2080 -5.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 4.2750 -5.4920 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 4.5560 -3.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 2.0630 -2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 3.8290 -2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 5.1860 -1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6190 5.6750 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 6.9120 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3110 7.4720 -1.2540 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.0580 6.6710 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8330 8.5160 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2550 9.5440 -0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 2.0300 -0.3810 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1750 0.9890 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.6700 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 2.7620 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.7620 -4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 1.2410 -5.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 1.5060 -5.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 1.8830 -3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 1.3810 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 3.0540 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3040 3.8470 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 5.1030 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 5.9290 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 5.8970 -2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3080 4.8720 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 6.6320 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 7.6870 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.7280 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 5.4720 -6.3810 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9060 3.5200 -5.7690 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5590 3.4530 -2.3780 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0670 3.6050 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 4.0850 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7980 8.2330 0.9940 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.3540 8.1610 -2.6070 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.8960 7.6650 -3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4320 8.4410 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8680 9.0550 -2.3290 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