PUBCHEM-ZINC05751072 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.5750 1.8610 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 0.4460 -0.1350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9100 -0.2660 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -0.0550 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -0.2540 0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.3220 2.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -0.3190 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -1.3010 3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -1.0490 4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -0.6920 3.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9000 -1.5680 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 0.4380 3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 1.5590 3.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 0.1040 -2.7220 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1840 0.0770 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -1.2160 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.4240 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -3.7160 -3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -4.2670 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -5.4490 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -6.0890 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -5.5460 -4.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -4.3650 -3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 1.2790 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 2.1770 -3.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 2.5510 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 2.2300 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 1.9130 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 0.6920 3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -0.6050 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -1.1560 4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -2.3300 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.2330 5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.9290 5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -1.3610 -4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -1.1680 -3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -2.3420 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -2.4550 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -3.7770 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -5.8670 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -7.0070 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -6.0400 -5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -3.9510 -4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 0.0920 3.8570 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6470 0.4360 -1.4520 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9800 1.4160 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -0.0750 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 1.2000 -4.8600 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 4 1 0 0 0 0 2 45 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 14 45 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 44 -1 M CHG 1 45 1 M CHG 1 48 -1 M END