PUBCHEM-ZINC06904730 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5270 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.4920 -1.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7990 -1.5820 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 0.0340 -1.1920 N 0 5 0 0 0 0 0 0 0 0 0 0 2.1480 1.5020 -1.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6410 1.8430 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 1.9830 -1.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 2.4600 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 2.4900 -3.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 2.9560 -2.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1150 2.2960 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 4.3750 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 4.8820 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3930 3.4620 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 2.9670 -3.7540 N 0 5 0 0 0 0 0 0 0 0 0 0 0.0990 -0.0200 -2.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.8630 -3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -2.0120 -3.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.3770 -4.7240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4470 0.6320 -4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.3680 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -0.8290 -6.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.8380 -7.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -1.2740 -5.8430 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.5440 1.8890 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 1.8790 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -0.3660 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3820 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 3.1380 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 1.7190 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 5.0280 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 4.3630 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 5.2400 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 5.5410 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 3.4740 -4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 2.8090 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -1.3710 -4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 0.3200 -3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -0.4770 -7.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -1.8380 -6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -1.5250 -7.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 0.1660 -7.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 4.8700 -1.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 5.7850 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 0.0690 -5.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 0.1340 -5.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 0.8990 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 1.9590 -0.4190 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 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 18 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 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 50 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 33 1 0 0 0 0 14 34 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 47 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 45 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 5 -1 M CHG 1 17 -1 M CHG 1 26 -1 M END