PUBCHEM-ZINC04102417 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 1 0 0 0 0 0999 V2000 0.7280 1.4810 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 0.0810 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.6050 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 0.1400 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 1.5290 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 2.2080 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 2.2260 -2.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -0.4330 -2.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -2.0840 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -2.5520 -1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.8500 0.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -4.3000 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -4.7720 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -6.3020 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -6.7640 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -8.2990 -0.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0670 -8.6800 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -8.6550 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -8.9240 -1.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -10.2860 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -11.1030 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -10.7780 -2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -9.9750 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -10.4950 -3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -11.8180 -4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -12.6160 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -12.1130 -2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -13.0000 -2.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -13.9180 -4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.0060 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.4280 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 3.2910 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.5320 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -1.4080 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -2.4270 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -4.6670 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -4.6790 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -4.3620 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -4.3730 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -6.7020 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -6.6970 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -6.3100 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -6.3830 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 -8.0180 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -8.6030 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -8.2940 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -8.9480 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -9.8660 -4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -12.2220 -5.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -12.5460 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -14.2680 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 -10.0460 0.3060 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0760 -10.1460 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -10.6760 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -10.4050 0.0640 H 0 0 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 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 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 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 M CHG 1 52 1 M END