PUBCHEM-ZINC06489290 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.3850 1.6210 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 0.1270 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -0.7200 -1.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5820 -0.4550 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.4610 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.2570 -2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -0.0190 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 0.0110 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -0.2040 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -0.4430 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -2.2020 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -2.9490 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -2.6080 -1.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -4.0070 -1.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3510 -4.6350 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -4.1890 -1.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7270 -4.9860 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -4.6260 -2.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -4.6800 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -5.0200 -3.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -4.8620 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -4.4140 -2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -3.5530 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -2.6940 -0.8330 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2460 -4.6890 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 -5.2570 -2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4120 -5.3830 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8950 -5.0390 -3.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1940 -6.0070 -1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -5.6120 -4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -6.8430 -4.3370 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4080 2.0090 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 1.8370 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 2.1680 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -0.0580 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -0.1790 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -0.2850 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 0.1380 -3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3630 0.1930 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -0.1940 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -0.6310 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -1.9250 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -2.7700 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -4.1680 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6650 -3.7460 -3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 -5.4000 -4.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1820 -5.3490 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2310 -6.1480 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -6.9840 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -4.9070 -5.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 2 0 0 0 0 M CHG 1 31 -1 M END