PUBCHEM-ZINC03204389 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.9970 0.2050 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -0.3650 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -0.9430 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -0.7900 -2.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -1.6540 -0.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -1.8770 0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 -2.3710 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -2.7560 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -3.7010 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -4.9400 2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -5.7290 2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -6.9310 3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -7.3510 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -6.5850 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -5.3850 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -4.4400 1.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -4.5020 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -3.4170 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -2.2120 -0.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7470 -2.5710 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -1.1700 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -0.6050 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 0.3640 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 0.7910 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 0.2410 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 -0.7330 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 0.6940 0.2080 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7080 1.7500 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -0.0090 -0.6720 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1650 -0.6030 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 0.2820 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 0.6010 -4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -0.5650 -4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 1.0180 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -1.1440 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 0.4400 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -3.3080 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -2.1550 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -5.4090 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -7.5390 4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -8.2860 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -6.9100 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 -0.8940 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 0.7930 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 1.5500 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -1.1350 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -0.6080 0.3270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 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 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 47 -1 M END