PUBCHEM-ZINC05159544 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 -0.1710 1.1500 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 1.5970 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 2.0860 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 2.4520 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 2.3910 -3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.9020 -3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.5150 -2.3360 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4920 2.8740 -4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 4.4080 -5.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 4.9340 -6.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 7.0490 -7.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 8.4050 -6.8890 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5780 9.5520 -7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 9.4650 -4.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 8.2400 -5.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2540 6.9230 -4.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 8.2550 -5.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 8.7580 -7.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 9.2520 -6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 11.2290 -5.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 2.8150 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 2.2110 -0.0960 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7110 0.3230 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 0.7990 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 1.9800 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 1.8050 -4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 2.4450 -5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 2.4950 -5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 4.8410 -4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 4.7440 -5.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 4.7200 -7.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 4.5120 -6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 6.3670 -7.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 7.1030 -8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 9.3090 -7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 10.4770 -7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 10.3300 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 9.2760 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 7.0200 -4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 6.1520 -4.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 7.2650 -5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 8.6050 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 9.5480 -8.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 7.8850 -7.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 9.5970 -5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5700 8.2780 -6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3660 9.9690 -7.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 11.9250 -5.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 11.3890 -6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 11.3190 -4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 3.5210 -3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 1.9000 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 1.1410 -2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 6.4460 -6.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4670 6.8180 -6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 9.8210 -5.5920 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3060 9.2170 -5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 9.1950 -6.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 3.4480 -1.2350 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7020 3.2660 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 4.4280 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 2.9520 -0.4940 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 21 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 26 1 0 0 0 0 7 53 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 54 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 58 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 58 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 58 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 56 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 59 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 62 1 0 0 0 0 M CHG 1 7 1 M CHG 1 22 -1 M CHG 1 54 1 M CHG 1 56 1 M CHG 1 59 1 M END