PUBCHEM-ZINC04755766 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.1620 1.3750 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.0040 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.6610 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 0.0830 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 1.4610 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 2.1060 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 2.4020 -0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 3.7180 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 1.6180 0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 1.3540 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 1.1660 -3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 0.0040 -4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 -0.9230 -3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -0.7150 -2.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 0.3760 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -2.1370 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -2.7070 0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -2.8520 0.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -4.2480 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -4.9390 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -6.3180 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -7.0110 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -6.3260 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -4.9480 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -8.4880 0.3960 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4910 -9.0930 0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -9.1000 -0.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7830 1.8840 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -0.5730 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -0.4190 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 3.1850 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 1.9070 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -0.1750 -5.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -1.8300 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 0.5110 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -2.3990 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -4.3980 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -6.8550 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -6.8700 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -4.4140 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 2.5120 -1.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 3.3800 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 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 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 32 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 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 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 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END