PUBCHEM-ZINC03872386 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 0.3810 1.6650 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 0.1880 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -0.2730 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -1.6280 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -2.5450 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -2.1060 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.7410 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -0.3130 -2.4930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3120 0.7730 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -0.9090 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -0.4050 -1.8620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -0.6550 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -0.1460 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1760 -0.4420 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 -1.1570 -2.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -1.6000 -3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -1.4000 -3.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8530 0.1510 -0.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 0.7940 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 0.6340 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2860 0.1120 -0.0970 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7700 -0.2330 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7000 -0.7090 1.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9630 -0.5160 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9780 0.0390 1.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.2450 -0.1020 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6410 1.4850 1.2410 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0710 1.9350 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7390 1.4760 0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8410 2.3570 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4020 3.7010 0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6350 3.6220 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0690 -0.4500 0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7070 -1.3500 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0280 -1.9520 0.8190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8800 -0.5580 -3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 0.4070 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 0.2270 -4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -0.9420 -5.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -1.9230 -5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -1.7240 -4.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -3.1160 -6.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -3.4120 -6.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 1.2610 -4.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 1.1530 -5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 2.0750 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.8570 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 2.2140 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 0.4270 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.9650 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -3.6020 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -2.8510 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -0.6260 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -2.0040 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 0.1360 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -2.1980 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 1.3570 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3270 2.0300 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5760 2.3640 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 1.3190 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -1.0890 -6.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -2.5110 -4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -3.4470 -6.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -4.4050 -7.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -2.6980 -7.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4010 0.2990 -5.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 1.0950 -6.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 2.0600 -5.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 50 1 0 0 0 0 5 6 2 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 10 11 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 57 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 37 60 1 0 0 0 0 38 39 1 0 0 0 0 38 44 1 0 0 0 0 39 40 2 0 0 0 0 39 61 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 62 1 0 0 0 0 42 43 1 0 0 0 0 43 63 1 0 0 0 0 43 64 1 0 0 0 0 43 65 1 0 0 0 0 44 45 1 0 0 0 0 45 66 1 0 0 0 0 45 67 1 0 0 0 0 45 68 1 0 0 0 0 M CHG 1 35 -1 M END