PUBCHEM-ZINC04536226 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 68 0 0 1 0 0 0 0 0999 V2000 0.2340 0.9960 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.2820 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -1.2290 0.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.8980 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -1.7540 1.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 0.4280 1.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 1.3190 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 2.6200 1.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.5940 0.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5180 -3.2760 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -2.6690 -1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4260 -1.7670 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -3.8610 -1.4670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5050 -4.7970 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -3.7860 -0.3590 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3420 -4.7890 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -3.0560 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -3.0800 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -2.9270 0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -2.7350 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.7660 -2.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -4.2160 -3.9890 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -3.4700 -3.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -3.5800 -5.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -3.6040 -6.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -3.7170 -7.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4720 -4.3090 -7.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -4.2830 -8.9370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1830 -5.3720 -8.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -3.7980 -10.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7180 -4.4780 -10.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -2.4430 -9.4950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4390 -2.3740 -9.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -2.4090 -8.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -1.2700 -10.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.6680 -9.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 0.3730 -10.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 0.4440 -11.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.5510 -11.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -0.7960 -11.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 1.7090 -13.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 0.0450 -12.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 1.0920 -13.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 1.3740 -12.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 2.3100 -12.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -0.0730 -13.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -3.7600 -11.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -3.5380 -11.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -3.7090 -9.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -4.2180 -8.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -2.8380 -1.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -3.0610 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.7690 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.6080 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 3.3910 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 2.8170 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -2.0760 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -3.6490 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -2.6850 -6.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -4.4660 -6.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.0310 -9.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -0.8220 -13.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 0.5410 -14.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -5.7200 -4.0880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 51 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 64 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 47 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 2 0 0 0 0 36 61 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 44 1 0 0 0 0 39 40 1 0 0 0 0 40 42 2 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 46 62 1 0 0 0 0 46 63 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 64 -1 M END