PUBCHEM-ZINC06588085 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 0.8280 1.4230 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.0590 -0.5170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8560 -0.6180 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -0.5640 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -1.9720 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -2.7480 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -4.0660 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -4.9240 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -6.2100 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -6.6620 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -5.8240 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -4.5370 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -3.7970 1.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -2.5360 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -1.7730 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -2.4040 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -1.7640 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -1.9440 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3530 -1.3350 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -0.5380 -2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -0.3650 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -0.9740 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 0.1140 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8080 -0.3870 -3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 1.6410 -3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -0.3010 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -2.1690 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -1.1900 3.1410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8940 1.5910 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 1.7780 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 2.0360 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -0.5130 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 0.0930 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -4.5920 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -6.8500 3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -7.6620 3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -6.1840 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -3.4730 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -2.5530 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -1.4880 -4.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 0.2470 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -0.8260 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -0.1630 -4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0970 -0.1000 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 0.0280 -4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8620 -1.4800 -3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 2.0120 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 2.0020 -4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 2.0950 -4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 0.2410 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 0.1140 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.7090 1.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 2 0 0 0 0 M CHG 1 28 -1 M END