PUBCHEM-ZINC03801120 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 53 0 0 1 0 0 0 0 0999 V2000 0.2190 -0.1270 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -1.4210 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -2.2430 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -1.1590 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.4410 -1.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4380 0.4650 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -0.0420 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 1.1870 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 1.8510 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 1.5140 -0.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 2.6490 -0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -1.3690 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -2.1980 -2.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -1.2190 -2.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -2.0350 -3.5390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1140 -3.0700 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -1.5570 -4.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.2970 -5.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -0.4670 -5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -1.9680 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -1.2550 -2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -2.7170 -4.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -2.3600 -4.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5930 -2.1150 -3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -3.5550 -5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -3.2580 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -4.7930 -4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -1.0500 -5.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -0.7220 -5.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.3420 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 0.4280 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 0.5280 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -2.0160 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -1.7040 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -3.1950 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -2.4720 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -2.1230 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -0.5780 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 0.1860 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -0.8680 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 1.0210 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 2.9390 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -0.5240 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.2830 -5.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -1.4440 -5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -3.4640 -4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -3.8130 -5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.8700 -4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 -4.1640 -5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 -2.5320 -6.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -5.1210 -3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -5.6350 -4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -4.5890 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 -0.4560 -5.3010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 M CHG 1 54 -1 M END