PUBCHEM-ZINC06545593 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.5430 0.4090 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 1.0030 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 1.3540 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 1.9020 -2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 2.0760 -3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 1.7020 -3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 1.1900 -2.7680 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2060 2.6650 -5.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 2.7390 -6.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 3.3190 -7.5320 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 4.6830 -7.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 2.2960 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 4.0830 -1.8970 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.7860 3.2240 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 5.2080 -0.8630 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3350 5.5060 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7310 4.7160 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 6.3280 -1.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 4.5620 -3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 4.5780 -4.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 1.1640 -0.3440 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6430 -0.6770 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 0.6770 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 0.7950 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 1.8350 -4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 2.0350 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 3.6660 -4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 2.1900 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 1.6510 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 4.5230 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 5.4780 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 3.7980 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 6.1360 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 0.9400 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 3.3730 -8.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 2.3630 -8.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 3.6940 -2.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 3.8480 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0640 4.9720 -3.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3860 5.2700 -4.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 1.4510 -8.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 3.7130 -9.3320 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 34 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 35 1 0 0 0 0 10 36 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 35 42 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 7 1 M CHG 1 21 -1 M END