PUBCHEM-ZINC00627604 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.0050 1.4190 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 0.0450 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -0.7610 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.1970 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.1850 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 1.9890 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -1.0540 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -1.2470 -1.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 -1.7970 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 -2.0820 -0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 -2.0230 -3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 -2.0130 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -2.2120 -5.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 -2.4330 -5.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9630 -2.4750 -4.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 -2.2860 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 -2.3700 -2.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 -2.7060 -2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6190 -3.0280 -3.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 -2.7420 -1.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6350 -1.8350 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4100 -3.9750 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2940 -4.3400 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5260 -3.8420 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1640 -2.8980 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4170 -2.7940 -1.7050 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6660 -3.6660 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0400 -1.5530 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2870 -0.5410 -2.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.0440 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -0.3990 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -1.8310 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 1.6420 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 3.0580 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 -0.5920 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -2.0430 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 -0.9550 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -1.8780 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -2.2000 -6.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1300 -2.5840 -6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 -2.6560 -5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -2.1750 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -3.7850 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3260 -4.8490 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -5.0390 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1130 -4.1270 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 -1.9160 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1910 -3.2410 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2440 -1.6880 -2.7370 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 49 -1 M END