PUBCHEM-ZINC06878689 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.8520 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.1330 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.0140 0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -1.0940 -1.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -2.2900 -2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 -3.0170 -2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -2.0400 -3.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -0.8430 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -0.1200 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -2.2820 -5.1310 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -1.0000 -5.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -3.1470 -5.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -3.1300 -5.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 -2.4340 -5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5100 -3.0140 -6.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5520 -4.4370 -6.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2810 -5.0760 -6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -4.6020 -5.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -1.9960 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -2.9500 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -3.7920 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -3.4660 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -0.1830 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -1.1380 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 0.6540 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 0.3330 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -2.5880 -4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 -1.3680 -5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5200 -2.6120 -6.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0880 -2.7460 -7.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -6.1560 -6.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -4.8150 -7.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -4.9700 -5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -4.9770 -4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M END