PUBCHEM-ZINC05633104 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 -0.4950 2.1780 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 0.6970 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 0.4770 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -0.2070 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -0.2160 2.7670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2210 0.7950 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -0.9870 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -2.1900 3.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -0.8990 3.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -0.2990 3.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 0.9050 3.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -1.2720 3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -0.5350 4.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 -1.1390 4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 -2.3450 4.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 -0.2230 4.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1060 -0.6040 4.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1130 0.3760 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5460 0.0410 4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6970 -0.0320 6.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6980 -1.0050 6.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2630 -0.6740 6.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 2.4970 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 2.7990 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 2.3940 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 0.4170 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 0.7420 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -0.5700 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 1.0880 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -1.2370 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 0.0980 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -1.8930 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -2.0430 3.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -1.7400 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 0.4670 3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 0.7530 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2940 -1.6030 4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8770 1.4010 4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0290 0.3620 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2290 0.7960 4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8350 -0.9200 4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5480 0.9670 6.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7170 -0.3400 6.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7870 -0.9800 7.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9390 -2.0270 6.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5850 -1.4290 6.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 0.2850 6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.3300 3.2440 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 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 48 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 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 19 40 1 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 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 M CHG 1 48 -1 M END