PUBCHEM-ZINC05499507 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.9980 -2.3780 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.9970 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 0.0610 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 0.3630 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 1.0090 -1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.2620 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -0.0520 2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 1.3210 2.4090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3820 2.0590 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 1.7830 3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 3.2250 3.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 4.0630 4.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 5.3190 4.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 5.2910 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 3.9930 2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 3.5780 1.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 4.6300 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 5.9380 1.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 6.3020 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 7.6350 3.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 1.1620 1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 2.0230 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -1.8460 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -3.4510 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -2.1580 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -2.5040 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -2.2570 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -0.6420 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 0.9960 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.0220 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.5540 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.0340 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -0.7830 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 1.3330 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 1.5230 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 3.7140 5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 4.3940 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 7.9170 3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 8.3040 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -0.5140 1.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1450 -0.0340 0.5020 H 0 0 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 26 1 0 0 0 0 2 27 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 40 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 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END