PUBCHEM-ZINC06762811 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -1.1170 -2.3440 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -3.8290 -1.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -3.1590 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -4.2570 -3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -3.7970 -4.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8520 -3.2750 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -5.1020 -4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -5.2820 -5.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -2.9110 -5.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -1.5550 -5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.8580 -4.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -0.9860 -6.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -0.8310 -6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -1.1680 -5.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -0.2430 -4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -0.5830 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -1.8460 -3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -2.7710 -4.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -2.4330 -5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -0.7080 -7.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -0.7960 -7.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -1.0910 -6.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 -0.5300 -8.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -1.3390 -8.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -1.1310 -9.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -0.1120 -10.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 0.7070 -10.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 0.5030 -9.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -2.0520 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -1.5220 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -2.5510 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -2.3450 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -2.7610 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -5.1160 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -4.6070 -3.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -3.4070 -5.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -0.4510 -7.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 0.7370 -4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 0.1300 -2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -2.1160 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -3.7590 -4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -3.1690 -6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -0.4290 -8.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 -2.1360 -8.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6370 -1.7640 -10.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 0.0500 -11.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 1.5080 -11.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 1.1700 -9.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 -5.8080 -3.8020 O 0 5 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 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 49 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 49 -1 M END