PUBCHEM-ZINC03646724 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 0.7200 1.6950 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 1.8220 -1.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 3.1270 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 2.7110 -2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 1.2430 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 0.8090 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -0.6250 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -0.9180 -0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -1.5190 -2.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -2.8980 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -3.7170 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -5.0540 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -5.0360 -3.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -3.7440 -3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -6.1950 -3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -6.2630 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -7.3990 -1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -6.0860 0.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -7.1870 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -7.9170 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -9.2820 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -10.3070 1.2870 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5930 -10.1790 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -11.2530 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 3.5540 -3.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 0.8880 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 2.6180 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 1.4870 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 3.8010 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 0.7050 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -1.1670 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -3.3550 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -3.5360 -4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -6.8050 -3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -5.8700 -4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -6.7500 -3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -5.1490 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -6.7380 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -7.8640 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -7.3440 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -8.0000 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 3.0720 -3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 3.5810 -2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -9.4260 -0.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -8.6000 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -10.3190 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 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 6 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 25 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 25 42 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 22 1 M END