SIAL-ZINC04533978 MOE2007 3D Structure written by MMmdl. 58 62 0 0 1 0 0 0 0 0999 V2000 2.2800 4.9160 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 4.1000 -0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 3.0340 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 2.7650 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 3.7590 -1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 4.8460 -1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 3.5160 -3.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 2.1710 -3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 1.7760 -2.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 1.4460 -3.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 4.5840 -3.8830 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9030 5.2190 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 4.2660 -5.2460 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5890 3.2890 -5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 5.3450 -6.1530 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3760 5.1040 -7.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 5.3360 -5.6300 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4100 4.3790 -5.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 5.3420 -4.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 6.4690 -6.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 6.0780 -5.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 5.5490 -4.5080 P 0 0 3 0 0 0 0 0 0 0 0 0 0.3050 6.4250 -3.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 5.4470 -4.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 5.3670 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 4.0650 -2.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2360 3.2550 -3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 3.6180 -1.9220 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3230 3.1750 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 2.6130 -1.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5650 1.6540 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 3.3070 -1.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2400 3.9140 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 2.4100 -1.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 4.1790 -2.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 2.4090 0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 4.6900 -1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 4.0250 -4.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 2.7690 -5.3810 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 2.0380 -5.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 6.5650 -5.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 4.3410 -5.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 5.7450 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 1.7810 -4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 0.4780 -4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 7.3530 -5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 6.7540 -7.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 6.2440 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 5.4160 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.4410 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 1.8400 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 4.2600 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 7.2450 -6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 5.2920 -5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 3.2830 -6.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 1.8490 -5.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 1.5970 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 2.5930 -7.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 43 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 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 38 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 37 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 36 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 34 50 1 0 0 0 0 36 51 1 0 0 0 0 37 52 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 55 1 0 0 0 0 39 56 1 0 0 0 0 41 53 1 0 0 0 0 42 54 1 0 0 0 0 55 58 1 0 0 0 0 56 57 1 0 0 0 0 M END