PUBCHEM-ZINC06349815 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -4.4320 1.4230 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 0.8060 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -0.5910 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -1.2070 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -2.6200 -0.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5030 -3.2550 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -3.2790 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -3.4920 -1.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -3.2340 -1.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -2.7290 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -3.4750 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -2.9400 -4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 -1.7630 -5.3800 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6220 -1.0300 -4.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -1.4680 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -0.7700 -3.3610 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.3720 0.2780 -5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -4.7470 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6310 -4.4030 -2.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2520 -4.4750 -2.3430 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.4690 -3.5300 -3.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 2.4210 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 1.5200 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 0.8110 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 1.4580 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 0.7550 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -1.2390 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -0.5270 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -0.5580 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -1.2300 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -3.0440 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -4.3000 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 -3.4120 -5.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 -1.3970 -6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 1.1120 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 0.3130 -6.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 0.4140 -6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -5.3420 -3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 -5.3890 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -3.5320 0.9900 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2770 -2.5720 -1.6640 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3410 -1.6120 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.9960 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4900 -5.9410 -2.6770 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.8760 -4.0060 -1.0380 O 0 5 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 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 13 1 M CHG 1 16 -1 M CHG 1 40 -1 M CHG 1 41 1 M CHG 1 44 -1 M CHG 1 45 -1 M END