PUBCHEM-ZINC06544875 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.1740 1.3870 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.0410 -0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.6950 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 0.0210 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -0.6450 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -2.0280 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -2.7500 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -2.0880 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -2.8180 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -4.2820 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -4.8230 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -6.3530 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -6.8460 0.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -6.3220 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -4.7920 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -7.7620 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -8.0840 2.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -8.3740 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -8.9860 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -9.5560 -1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -9.5230 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -8.9200 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -8.3390 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -7.7440 2.0710 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 0.1230 -0.0120 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9570 1.3400 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -0.4630 -0.0010 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8420 1.7820 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.7330 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 1.7360 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 1.1010 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -2.5440 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -3.8300 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.3530 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -4.6230 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -4.4400 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -4.5030 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -6.6750 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -6.7460 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -6.6420 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -6.6950 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -4.4720 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -4.3880 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -9.0140 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -10.0290 -2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -9.9720 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 -8.8980 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END