PUBCHEM-ZINC02972668 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.2190 1.2850 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.1180 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.6560 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 0.1000 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -0.5310 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 -1.9240 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.6970 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -2.0660 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -2.7310 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -4.1360 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 -2.7110 -0.1310 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 -4.0920 0.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 -1.8350 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 -2.6850 -1.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -3.5110 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -4.2120 -3.7640 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1650 -3.4370 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 -4.9050 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2720 -4.6250 -3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3390 -5.2950 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0610 -6.2370 -1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 -6.5390 -1.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7960 -5.8600 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8720 -5.8770 -5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -6.8250 -6.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -6.1240 -7.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -5.5330 -6.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -4.5130 -5.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 1.5220 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.8350 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 1.6000 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 1.1850 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 0.0730 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -3.7780 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -4.3890 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -4.6500 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -4.4830 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 -1.8950 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -2.8420 -3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 -4.2660 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4810 -3.8870 -4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3630 -5.0880 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8570 -6.7890 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -6.1260 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 -5.0840 -6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -6.4440 -5.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -7.6390 -5.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -7.2770 -7.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -6.3210 -5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -5.0350 -6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -4.1220 -4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -3.6990 -6.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 -5.1800 -4.6770 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5890 -5.9180 -4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END