PUBCHEM-ZINC03874623 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 56 0 0 1 0 0 0 0 0999 V2000 0.4620 1.5560 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 0.0620 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -0.6390 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.1430 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -2.8630 0.7780 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1760 -2.4080 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -4.3350 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -5.2210 1.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -4.5640 -0.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -5.8740 -1.3440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5200 -6.5640 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -6.4020 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -5.4060 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -6.0960 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -4.8400 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -5.8640 -2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -4.8110 -3.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -7.1470 -3.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -7.5110 -4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -8.8790 -5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -9.3310 -6.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -8.4040 -7.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -7.0380 -7.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -6.5980 -5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -8.8680 -8.7990 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3060 -10.0860 -9.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -8.0150 -9.6780 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6680 -2.7380 1.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -2.4210 1.4450 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -1.0730 0.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 2.0380 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 2.0240 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.7520 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -0.0980 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -0.3690 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.4670 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.2020 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -2.3050 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -2.5730 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -3.8000 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -6.7730 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -7.2810 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -4.5680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -6.9400 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -5.3960 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -6.4740 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -4.1510 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -4.2700 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -5.6370 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -7.9080 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -9.6100 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -10.3980 -6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -6.3030 -7.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -5.5320 -5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -3.5790 0.5270 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9620 -2.3940 2.7780 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 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 50 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 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 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 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 55 -1 M CHG 1 56 -1 M END