PUBCHEM-ZINC06420498 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0230 1.5320 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.0020 -0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5280 -0.3520 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.4920 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -1.1230 -2.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -0.2310 -1.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -0.7700 -2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -0.9180 -3.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -1.4510 -4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 -1.8360 -4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -1.6900 -3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 -1.1530 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -2.1040 -3.3380 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6970 -2.5740 -4.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 -1.9750 -2.2720 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3610 -0.5030 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -0.7130 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -0.4820 2.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -1.2370 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -1.3850 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -1.9080 2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -3.2060 2.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6430 -0.2520 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -3.7130 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 -5.0940 3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0740 -5.5560 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1530 -4.6770 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9600 -3.3280 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 -2.8200 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 -1.4320 2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4010 -0.5310 3.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -1.0380 2.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 1.9110 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8850 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.8890 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 0.3300 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -0.6180 -3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -1.5670 -5.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 -2.2530 -5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -1.0340 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -0.5390 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -2.2080 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -2.0830 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -0.4140 3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -5.7880 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2540 -6.6200 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1570 -5.0690 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8040 -2.6560 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 32 2 0 0 0 0 22 24 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 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 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END