PUBCHEM-ZINC04648319 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.0460 1.4970 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.0090 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.7520 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -2.1450 1.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.9640 0.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1430 -3.1800 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -4.1060 1.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1340 -5.0480 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -3.2400 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -3.4670 3.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -4.2540 0.5500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -5.0160 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -5.5790 -1.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -5.1690 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -6.0640 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -5.5190 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -6.3400 -4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -7.7060 -4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -8.2500 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -7.4290 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -2.1020 -0.9740 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -2.0860 -0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.4270 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.1300 3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.8160 4.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 1.7820 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 2.0180 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 1.7660 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -3.8040 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -4.1900 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -5.6100 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -4.4520 -3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -5.9150 -5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -8.3480 -5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -9.3180 -3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -7.8540 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -0.3920 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 0.2620 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 1.1990 3.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 1.5610 4.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 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 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 39 40 1 0 0 0 0 M END