PUBCHEM-ZINC03678668 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 2.2740 1.1400 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -0.3040 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -0.9880 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -2.3470 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -3.0420 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -2.3500 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.9950 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -3.0820 -2.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.5720 -3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -4.5280 -0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7420 -4.8220 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -5.4010 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -6.4900 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -7.0380 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -8.1240 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -8.3890 -2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -7.5920 -2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -6.5090 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -6.2560 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -5.2680 -0.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -4.5550 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -6.9090 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -6.3280 -1.0060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7130 -6.3420 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -7.1100 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -6.5760 1.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -8.4350 0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -9.2330 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -3.0020 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 1.2200 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 1.6580 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 1.6580 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -0.4500 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.4480 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -1.7000 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -2.3410 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -3.3520 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -8.7520 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 -9.2260 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 -7.8140 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 -5.8900 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -6.5340 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -8.0020 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -9.1570 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -8.9280 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -10.2750 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -3.2890 2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -3.8860 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -2.3270 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -4.8450 -0.7390 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2030 -4.4400 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -4.3250 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 50 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 22 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 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 50 1 M END