PUBCHEM-ZINC02814408 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -0.6030 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -2.1260 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -2.5650 1.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -3.8760 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -4.6930 0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -4.3280 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -5.7860 2.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -6.3820 2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -5.6720 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -6.2640 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -7.5610 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -8.2690 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -7.6860 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -9.6570 0.5170 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4790 -10.1740 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -10.2820 0.6390 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6480 -6.7300 3.4520 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -7.8800 3.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -5.8610 4.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -7.1590 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -0.2940 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -0.2840 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -2.5820 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -2.4290 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -1.9120 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -3.8720 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -4.0250 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -4.6600 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -5.7130 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -8.0210 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -8.2410 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -7.8250 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -7.6590 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -6.2520 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END