PUBCHEM-ZINC05923143 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 5.2500 -0.4000 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 0.4520 -4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -0.0520 -3.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6870 -1.1080 -4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 0.1280 -2.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4800 -0.3470 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 1.6200 -1.9960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8230 2.1080 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 1.8010 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 1.3050 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 0.9960 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 2.2190 -2.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 3.5460 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 4.2460 -2.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 4.1470 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 5.4240 -3.1290 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6220 6.0040 -3.4690 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2220 6.2400 -3.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 7.6240 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -0.4770 -1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 0.7360 -4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.1660 -3.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -0.2480 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -1.4520 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -0.1060 -4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 1.4920 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 0.3770 -5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 2.8560 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 0.2180 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 1.7340 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 1.6110 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 1.3810 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 1.0850 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.0530 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 1.6610 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 3.5250 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 8.0040 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 7.7440 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 8.1800 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -0.1580 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 0.9590 -5.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 1.4690 -6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 16 1 M CHG 1 17 -1 M END