PUBCHEM-ZINC01637604 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.1350 1.1950 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.1860 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -0.7620 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 0.0530 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 1.4350 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 2.0180 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 3.5130 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 4.1800 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 5.7160 1.4880 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6470 6.0650 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 6.3210 2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 7.7990 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 8.4300 2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 9.7880 2.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 10.5150 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 10.4940 2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 9.9400 3.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 8.5990 3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 8.1050 4.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 11.8350 3.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 7.6720 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 6.2330 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -2.2320 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.8190 1.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -2.8350 -0.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -4.2740 -0.2460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7600 -4.8270 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -4.6120 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -4.4330 2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 -4.8930 2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -5.2590 2.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -4.7320 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -3.8030 -2.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 1.6240 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -0.8120 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -0.3640 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 2.0580 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 3.9230 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 3.7260 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 3.8050 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 3.8860 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 5.8320 3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 6.1160 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 12.2690 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 12.4270 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 8.2150 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 5.9470 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 5.8100 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -2.3230 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -5.6530 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 -3.9900 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -3.3760 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -4.9910 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 -4.8440 4.2030 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7270 -5.9460 -1.9650 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 M CHG 1 54 -1 M CHG 1 55 -1 M END