PUBCHEM-ZINC05496948 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 0.1580 1.1400 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 0.0650 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -1.1390 1.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8200 -1.3590 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -2.2110 0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -2.4090 0.2820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1780 -2.9510 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.6600 0.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -3.2510 -1.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9120 -4.2920 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -3.0430 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -3.3560 -1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -2.6490 -2.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -1.6490 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -3.3960 -3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -4.6040 -3.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -2.5900 -4.6410 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9130 -2.0830 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -1.5690 -4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -0.1960 -4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 0.7470 -4.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 0.3240 -3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 -1.0310 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -1.9740 -3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7730 1.2800 -3.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 0.8450 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 -1.0960 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -2.1410 1.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 0.6820 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 1.5820 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 1.9550 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 0.7310 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 0.1530 -4.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 1.8080 -4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 -1.3730 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -3.0340 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 1.2370 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.0750 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 1.4020 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -3.5240 -5.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -4.2870 -5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -3.0500 -6.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 0.0000 0.9840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 29 37 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 43 -1 M END