PUBCHEM-ZINC02972707 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.0440 -0.0320 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -1.3260 -0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -1.4630 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -2.7460 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -3.0240 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -2.0320 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -0.7470 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.4600 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -2.2910 0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6760 -1.5490 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 -2.4410 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -4.0690 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -3.2030 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5490 -3.9890 1.5900 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3910 -4.7200 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8220 -4.7390 2.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1690 -5.3480 3.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5110 -6.7840 2.2010 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.9500 -6.8620 2.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6400 -6.8610 1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9930 -7.9910 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7250 -3.0980 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4880 -3.3500 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5770 -2.5390 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8730 -1.4940 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1660 -1.2180 1.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1170 -2.0240 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -0.0940 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 0.2920 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.6950 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -3.5440 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -4.0500 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 0.0760 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 0.5580 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -0.7210 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 -1.1170 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 -1.8120 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 -3.1920 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -4.7870 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 -4.5980 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 -3.8710 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 -2.5940 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0810 -5.5290 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -4.0460 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9810 -4.7460 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5650 -7.8460 4.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1970 -8.9820 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 -7.8790 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2520 -4.1850 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1840 -2.7220 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7130 -0.8330 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5950 -1.7640 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 -3.2000 1.6520 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2780 -2.4960 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 53 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 14 53 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END