PUBCHEM-ZINC05965768 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -1.9980 0.0050 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3930 -2.7870 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -2.5220 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -3.5560 3.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -4.8720 2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -5.1560 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -4.1190 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -4.0580 -0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -4.8130 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -2.7420 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -2.2230 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -2.1840 -2.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -1.6560 -4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -1.6180 -4.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -1.1850 -6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -0.8240 -6.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 -1.1470 -6.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 -0.7300 -7.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7110 -0.7990 -8.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4050 -1.2570 -7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3670 -1.6390 -5.7010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -1.5020 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -3.3480 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -5.6780 3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -6.1820 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -1.2180 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -2.8800 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -3.1890 -2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -1.5260 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -0.6510 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -2.3130 -5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -1.9060 -4.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 -0.3800 -8.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -0.5050 -8.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4790 -1.3720 -6.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 M CHG 1 4 1 M END