PUBCHEM-ZINC05549517 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 0.1060 1.3120 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.6640 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 3.0710 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 3.4590 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 4.9660 2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 5.0680 5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 5.2330 6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 6.5430 5.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 7.2850 6.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 7.0810 7.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 8.0470 8.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 9.2040 7.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9820 9.4320 6.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 8.4550 5.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 8.4170 4.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 9.1470 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 7.2520 4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 6.8490 3.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0290 7.4220 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 7.1040 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 7.9960 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 8.2330 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 7.5660 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 6.6970 0.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 6.4970 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 0.2600 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 1.5240 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.9470 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 0.8940 2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -0.3590 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 0.7940 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 3.6430 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 3.2510 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 3.1770 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 2.9110 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 5.2890 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 5.5010 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 5.7550 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 4.0390 5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 4.4290 5.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 5.1480 7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 6.1840 8.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 7.8920 9.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 9.9420 8.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 10.3340 5.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 8.5210 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 8.9300 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 7.7220 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 5.8180 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 1.6070 0.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6040 1.3930 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 5.3650 3.6250 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3680 4.8100 3.4550 H 0 0 0 0 0 0 0 0 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 1 50 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 49 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 50 1 M CHG 1 52 1 M END