PUBCHEM-ZINC06412378 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 53 0 0 1 0 0 0 0 0999 V2000 0.1600 1.5760 2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 0.1080 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -0.4560 1.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9190 -0.2780 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 0.2830 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.9920 1.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3880 -2.1850 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -2.6380 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -2.4180 0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -2.8950 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -2.6730 2.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -2.2010 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -3.9230 2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.5650 2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -4.4820 4.1950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8990 -3.7200 4.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -4.8550 4.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -5.3500 5.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -5.6210 5.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -5.2290 4.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -5.6460 4.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -6.1730 3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -6.0080 5.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -5.3680 6.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -7.3360 5.9200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2650 -8.1330 5.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -7.2860 5.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -8.5640 5.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 -8.5740 4.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -7.6560 3.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 2.2300 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 1.8640 3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 1.7610 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.4590 3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.0240 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 0.1130 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.3620 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -0.0390 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -3.7200 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -2.2320 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -5.6240 3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -3.9800 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -4.6100 6.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -6.2840 5.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -6.4290 5.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -7.0940 4.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -9.4310 5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -8.7070 6.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -6.2140 6.2810 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1830 -9.5100 5.0050 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0340 -7.6680 7.3770 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7390 -7.0630 7.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -7.4730 7.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -8.6480 7.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 49 -1 M CHG 1 50 -1 M CHG 1 51 1 M END