PUBCHEM-ZINC02807603 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 1.2630 0.8650 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.6580 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -1.0240 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -1.2200 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -1.5600 -3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 -1.6080 -4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -1.2540 -3.0580 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -1.9100 -5.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -1.9320 -6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -1.6860 -5.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -2.2600 -7.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -2.2160 -7.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -3.3910 -8.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -3.3520 -8.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -2.1360 -8.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -0.9620 -8.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -1.0010 -8.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 0.2570 -8.0010 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0920 1.3190 -8.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 0.2310 -7.5510 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5870 -1.8240 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 -2.1040 -5.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 -1.7560 -3.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 -2.0300 -3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 1.2640 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 1.2860 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.1290 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -1.0800 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -1.0570 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -1.1340 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -2.1060 -5.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -1.5310 -8.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -3.2570 -7.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -4.3400 -7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -4.2690 -8.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -2.1050 -9.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -0.0130 -8.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 -3.0400 -4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -1.3130 -4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 -1.9410 -3.0940 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 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END