PUBCHEM-ZINC06471083 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.2530 -4.4550 -2.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -3.2910 -3.4970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6410 -3.5800 -3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.9450 -4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -2.1560 -5.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.1120 -2.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -1.4870 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -0.2370 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 0.7680 -2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 1.5920 -2.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 0.7250 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -0.1940 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -0.1140 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.5820 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -1.1970 0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -1.8730 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -1.2380 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -1.3230 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -0.5150 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 -1.0130 -1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9420 -2.0510 -2.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -2.2570 -3.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 -0.5640 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6590 0.2630 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 1.2430 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 0.5880 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 1.0120 -0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2290 -0.6850 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8660 1.0830 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -4.2260 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -4.6860 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -5.3550 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 0.2720 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 0.4130 -3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 1.7480 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -1.2270 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 0.0760 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -0.7600 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.9090 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -2.9600 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -1.5330 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.1840 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -1.7230 -3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 0.0600 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 -1.4180 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 2.0400 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 1.7180 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 -1.3060 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 -0.1200 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0470 -1.3600 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7090 0.4320 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 1.6650 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2070 1.7870 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -3.4950 -5.5440 O 0 5 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 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 54 -1 M END