PUBCHEM-ZINC01904983 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.8460 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -2.5740 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -2.4240 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -2.7470 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -3.2590 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -3.3740 -0.7280 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -2.7120 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -2.4970 -2.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -2.8160 -3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -3.2930 -3.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -2.5890 -4.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -2.9080 -5.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -2.6790 -7.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -2.1310 -7.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -1.9200 -8.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -2.2490 -9.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -2.7920 -9.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -3.0140 -8.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -3.1390 -10.7850 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5020 -2.9480 -11.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -3.6170 -10.6070 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7570 -3.6860 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -2.5240 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -2.1170 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -2.1650 -4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -3.3310 -5.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -1.8730 -6.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -1.4970 -8.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -2.0810 -10.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -3.4410 -8.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -2.8440 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 -4.5050 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -4.0170 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -1.5250 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -3.2670 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -2.6170 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END