PUBCHEM-ZINC02871612 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.1160 1.0620 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.3590 -0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.0940 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.4590 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.2030 -3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -2.5860 -3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -3.2260 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.4770 -1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -4.6240 -2.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -5.4270 -1.5840 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -6.8130 -1.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -4.8430 -0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -5.0440 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -5.8380 -3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -5.5400 -4.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -4.4410 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -3.6450 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -3.9520 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -4.1370 -4.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -3.7460 -4.1390 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -2.7560 -3.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -3.5460 -5.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 -5.1700 -3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 -5.2980 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -6.4150 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5560 -7.4040 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 -7.2750 -3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4390 -6.1560 -3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0060 -8.6000 -1.1080 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7420 -8.7140 0.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6400 -9.4710 -1.6770 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4490 -3.3180 -4.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -2.5940 -5.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 1.4060 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 1.3380 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 1.5260 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 0.6190 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -0.7060 -4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.9710 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -5.1210 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -6.6920 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 -6.1610 -5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -2.7900 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -3.3360 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 -4.1540 -5.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8550 -4.5260 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6040 -6.5160 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4170 -8.0470 -3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 -6.0530 -4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -1.9340 -5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -3.2960 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -2.0010 -5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 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 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 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 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 32 33 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END