PUBCHEM-ZINC06792417 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.0590 1.3450 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 1.5430 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 1.6260 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 1.8190 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 1.9340 -3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 1.8730 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 1.6770 -2.3580 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5660 2.2110 -5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 3.5600 -5.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 4.6210 -5.2590 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 4.6960 -3.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 2.0360 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 3.7500 -1.9310 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5670 2.8950 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 4.0060 -3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 4.9420 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 5.2820 -0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 5.6170 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 6.5040 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 7.1070 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0750 7.9520 1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4680 8.5460 2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6320 9.3790 3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6210 9.4530 4.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 1.5620 -0.1890 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3760 0.4280 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.2540 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 2.2000 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 1.9980 -4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 1.5900 -5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 1.9250 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 1.8820 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 1.3300 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9000 4.1090 -3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4720 4.9320 -3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 3.1820 -3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 6.2120 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3050 4.8300 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 5.9150 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8630 7.3080 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2530 7.7250 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 6.3020 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8090 7.3320 2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 8.7600 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7210 9.1870 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2090 7.7390 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.6490 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 5.8980 -5.8920 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7280 3.9510 -5.9660 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6900 3.4060 -2.1660 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1350 3.6210 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 4.1030 -2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7800 9.8900 3.5310 O 0 5 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 50 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 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 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 7 1 M CHG 1 25 -1 M CHG 1 48 -1 M CHG 1 49 -1 M CHG 1 50 1 M CHG 1 53 -1 M END