PUBCHEM-ZINC05846701 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -2.4940 -1.7590 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -2.2600 -1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -1.1310 -1.5910 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6490 -0.5300 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.1820 -2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -1.7050 -0.9480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8630 -2.3630 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -0.5970 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -0.5430 -0.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -3.9840 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -4.8510 -2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -6.1740 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -7.0090 -3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -6.5690 -4.8560 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6150 -5.3130 -5.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -4.3720 -4.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -3.1790 -4.3910 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4820 -4.9790 -6.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -6.7830 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -7.1560 -0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -8.7580 -0.9030 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -9.4190 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -1.1260 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -1.1880 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -2.6070 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.9400 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -2.8570 -2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -0.7160 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 0.3610 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 0.5730 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -4.3360 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -4.0330 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -8.0570 -3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -7.2410 -5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -4.7320 -6.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -4.1360 -6.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -5.8270 -7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -7.6320 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -6.0730 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 0.0760 0.6070 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9280 -2.5410 -1.9170 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6710 -2.5060 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -2.0720 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -8.8680 -0.4800 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5680 -9.0640 -2.3770 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 41 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 M CHG 1 14 1 M CHG 1 17 -1 M CHG 1 40 -1 M CHG 1 41 1 M CHG 1 44 -1 M CHG 1 45 -1 M END