PUBCHEM-ZINC05664411 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -1.0110 1.6390 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 0.2290 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.0870 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -0.6370 0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.0420 -0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2130 -2.2500 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -2.8420 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.7510 3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -2.1170 4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -2.4840 5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -2.1420 4.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 -2.7760 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -2.4160 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -1.7930 -2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -2.0490 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -2.8260 -4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -3.0130 -5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.4240 -6.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -1.6450 -5.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -1.4540 -4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -1.0300 -6.2920 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3010 -1.1820 -7.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -1.9520 -8.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -2.0800 -9.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -2.5670 -7.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -3.3120 -8.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -0.3180 -5.5990 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1620 2.3270 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.8290 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 1.8120 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -2.6770 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -3.9160 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.3910 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -3.8450 3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.4400 4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -1.0260 4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -3.5570 5.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 -1.9540 6.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -2.4820 4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -1.0520 4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -3.8700 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -2.4330 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -3.5060 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -2.0510 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -3.3010 -3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -3.6220 -6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -0.8470 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -1.5370 -9.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -3.1900 -9.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -2.3530 2.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2010 -1.3230 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 21 1 M CHG 1 27 -1 M CHG 1 50 1 M END