PUBCHEM-ZINC06055587 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.0290 -0.7640 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.2040 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -0.6660 -1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -2.1360 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -2.6240 -2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -1.8900 -3.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.4210 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.0680 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -2.5520 -4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -3.7650 -4.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -1.7860 -5.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -2.7270 -6.9760 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4900 -3.1280 -7.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -4.0000 -8.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -4.4450 -9.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -4.1340 -8.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -3.3240 -7.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -3.2780 -7.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -2.5810 -6.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 -4.0250 -8.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -4.7950 -9.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 -5.4530 -9.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -4.8570 -9.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -5.7180 -10.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -3.9960 -8.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -1.1220 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -1.6130 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.1060 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -2.4800 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -2.5230 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -3.6920 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -2.4360 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -0.0340 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -0.0760 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 1.1350 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.1170 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -1.1710 -5.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -1.1470 -5.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 -2.8170 -7.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -6.7150 -10.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -5.7810 -11.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -5.2990 -10.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -3.2060 -8.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -4.9570 -8.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 -3.8050 -7.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 1 13 1 M END