PUBCHEM-ZINC05976181 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.3290 0.8010 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.2650 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -0.5920 0.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -0.8680 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -2.1820 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -2.3740 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -3.4620 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -1.1230 0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -0.0640 0.2450 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6990 0.5380 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 0.7940 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 0.2500 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 1.0710 3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 2.4470 3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 2.9890 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 2.1790 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 4.3320 2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -0.8900 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -1.2150 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 -1.3590 2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2610 -1.5100 2.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3690 -2.3150 1.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3190 -2.5010 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -3.2000 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 0.6690 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.7240 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 1.7860 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -0.8170 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 0.6370 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 3.0730 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 2.6450 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 4.7800 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 0.1480 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 -1.5400 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 -2.2440 1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2300 -0.5290 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -0.5440 3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -2.3030 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7900 -1.9940 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7190 -0.5380 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -4.0250 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 -1.0740 1.5870 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3520 -0.1430 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5050 -1.7500 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 24 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 18 1 0 0 0 0 9 10 1 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 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 24 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 42 1 M END