PUBCHEM-ZINC04489411 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.8880 -1.2800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1270 -2.3020 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -2.2650 -2.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6810 -1.8590 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -3.7990 -2.5880 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8520 -4.2610 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -4.0400 -4.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7580 -4.5530 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 -2.6310 -4.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8220 -2.2820 -4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -2.6410 -6.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -2.6980 -7.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -2.7070 -8.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.6600 -8.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -2.6030 -7.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -2.5990 -5.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.6680 -9.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -3.9890 -10.0050 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -1.9630 -9.4570 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -2.0620 -10.6630 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -4.8220 -4.5620 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4510 -4.3910 -4.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -5.9020 -5.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9770 -4.3460 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -5.2650 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -5.7660 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 -5.3490 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -4.4300 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -3.9320 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -2.4160 -1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -2.7360 -7.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -2.7510 -9.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -2.5660 -7.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -2.5580 -5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -5.5910 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -6.4840 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -5.7400 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 -4.1040 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -3.2170 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -2.0890 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -1.7730 -3.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -1.8760 -3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 49 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 31 2 0 0 0 0 30 45 1 0 0 0 0 31 32 1 0 0 0 0 31 46 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END