PUBCHEM-ZINC05273560 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.2820 1.3730 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.0970 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.2690 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.6500 0.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6940 -0.4150 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -2.1820 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -2.6900 1.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -2.8460 -0.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -4.2400 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -5.1820 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -6.5500 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -6.9760 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -6.0480 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -4.6850 -2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -8.4060 -1.6250 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5440 -9.1960 -0.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -8.7420 -2.7770 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0460 -0.1040 1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 1.0060 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 1.6200 0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 1.4610 2.5310 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1210 0.6100 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 2.1240 3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 2.6830 4.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 1.8280 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 2.3530 6.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 3.7330 6.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 4.5910 6.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 4.0700 4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 1.7040 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.5200 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 2.0260 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.6600 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 0.2990 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -1.3200 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 0.0860 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -2.2790 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -4.8890 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -7.2580 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -6.3610 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -3.9780 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.6170 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 1.3990 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 2.9170 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 0.7470 5.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 1.6870 7.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 4.1390 7.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 5.6680 6.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 4.7600 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 2.4410 2.1250 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1420 2.8760 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 1.9790 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 3.1800 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 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 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 50 1 M END