PUBCHEM-ZINC04760713 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 0.8560 -0.2420 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0900 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -0.8860 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -0.6210 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -0.3440 2.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 -0.7840 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.9510 3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.2480 4.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 1.1030 2.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 1.6020 3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 0.8530 3.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 3.0900 3.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5310 3.5810 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 3.6140 4.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 5.1400 4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 5.7610 5.3060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 7.5560 5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 3.3760 4.2950 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 4.5750 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 5.4190 3.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4200 4.8370 4.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 6.1490 4.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 6.2590 5.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 6.7330 6.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 6.8340 7.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5210 6.4620 7.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6160 5.9890 5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4830 5.8920 5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -1.2810 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 0.0550 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 0.3940 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 0.9630 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -1.9380 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -0.7780 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -0.5080 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -1.6950 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -0.1220 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 1.7020 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 3.1900 5.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 3.3240 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 5.5640 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 5.4300 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 8.0420 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 7.9190 4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 7.7850 5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 2.7010 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 6.9160 4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 6.2870 3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 7.0240 7.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2170 7.2040 8.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4070 6.5400 7.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5760 5.6970 5.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 5.5260 4.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -2.2740 3.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -2.6170 4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 54 1 0 0 0 0 9 10 1 0 0 0 0 9 38 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 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 43 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 18 46 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 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M END