PUBCHEM-ZINC06904730 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.2180 1.2630 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.2430 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -0.6020 -1.7310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2520 -1.6810 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1370 -1.9490 N 0 5 0 0 0 0 0 0 0 0 0 0 2.1500 1.5770 -1.7830 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5510 2.0450 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 1.9470 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 2.0670 -1.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 3.3810 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 4.3180 -2.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 3.6060 -2.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7320 3.3620 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 5.0920 -2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 4.4220 -3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4540 2.9590 -3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 2.6840 -3.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 2.7500 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.3840 -2.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -1.0090 -3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -1.8770 -2.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -0.4680 -4.4480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0570 0.5040 -4.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -1.4320 -4.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -0.7980 -7.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 0.1570 -6.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -0.2460 -5.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -1.1070 -5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.6580 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 1.4760 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -0.6330 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -0.7230 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 3.0330 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 1.6500 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 5.4250 -3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 5.7410 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8460 4.6150 -3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 4.7120 -4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8630 2.3100 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 2.6800 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -2.4520 -5.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -1.4580 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -0.3990 -8.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -1.7930 -7.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 0.2260 -7.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 1.1670 -6.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 5.3220 -2.4850 N 0 3 0 0 0 0 0 0 0 0 0 0 7.3200 6.3060 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 5.1690 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -0.9720 -6.1910 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0370 -1.6420 -6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -0.0770 -6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 0.2730 -3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.3220 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 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 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 54 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 14 1 0 0 0 0 12 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 5 -1 M CHG 1 47 1 M CHG 1 50 1 M END