PUBCHEM-ZINC06553991 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.4400 1.3280 -0.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3780 1.4010 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 0.2470 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 0.6040 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 0.1270 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 1.8520 -0.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 2.3680 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 2.2780 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 3.2160 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -0.9610 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -1.9830 -0.8750 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6930 -1.4950 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -2.8200 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -3.9250 -0.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -2.2190 -1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -2.8510 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -1.8720 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 -0.7380 -2.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -2.3440 -1.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 -1.7400 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0160 -3.2730 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -2.9410 -0.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -2.6810 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -1.5980 -1.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -3.8710 -1.0770 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2860 -4.5110 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -4.6730 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -5.8990 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -6.6610 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 -7.8380 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -1.4140 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -0.6140 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -1.3090 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -3.7590 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -3.1060 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -3.8500 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -4.9990 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -4.0220 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -5.5900 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -6.5640 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -7.0180 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -5.9820 -4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -7.5150 -3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -8.5770 -2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -8.5270 -4.9770 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0350 -9.3130 -5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 -7.8930 -5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -8.9060 -5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -3.3620 -0.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -2.8660 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -2.6510 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 8 2 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 27 28 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 1 1 M CHG 1 45 1 M END