PUBCHEM-ZINC04690441 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0280 1.8840 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.3580 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.1990 0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -1.5550 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.3310 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -3.7090 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -4.3160 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -2.1660 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 -1.3850 0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -1.0550 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -1.4040 2.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 -0.2360 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 0.2470 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4150 1.1880 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4810 1.3560 2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 2.2410 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4590 2.9630 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4090 2.8020 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3850 1.9250 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3820 3.5790 -0.9700 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.2830 4.3570 -1.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4580 3.4390 -1.7520 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7400 -0.0220 -0.6620 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -0.9630 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -1.2760 -2.6590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 2.3090 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 2.2470 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 2.1830 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.0590 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -0.0050 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -1.8600 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -4.3130 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -5.3930 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -4.0260 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 -0.0600 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5100 0.7940 3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3170 2.3720 3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2560 3.6540 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 1.8050 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END