PUBCHEM-ZINC03656559 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.5700 -1.0170 4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -0.3890 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.3270 2.1400 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.1170 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -3.0350 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -3.1200 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -2.2750 1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -1.3680 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -0.5260 3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.5870 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 -1.4740 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -2.3150 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -2.0340 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -0.9360 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 0.0760 -0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 1.1080 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 2.2410 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 3.1870 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 3.0440 -1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 1.9370 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 0.9830 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -0.5310 0.4380 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 4.0870 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.0690 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -0.7950 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.8210 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -1.7370 -3.0810 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -3.1170 -2.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -1.0190 -4.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -1.3240 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -0.2870 4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -1.8870 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -0.1630 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.5310 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -3.6690 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -3.8170 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 0.1690 3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 0.0630 4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -1.5030 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -2.9990 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -2.8450 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 2.3720 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 4.0510 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 1.8160 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 3.8290 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 4.1280 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 5.0600 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 1.0880 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.3390 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -1.8100 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.3770 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.2000 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -1.3100 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -1.6920 -3.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -2.1480 -3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 3 1 M END