PUBCHEM-ZINC06512467 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 0.2650 1.4590 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.0200 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -0.4450 0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -0.9260 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -1.1520 -2.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -1.1580 -0.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6260 -2.1780 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -0.1400 -1.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2710 -0.6940 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -0.1010 1.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3750 -0.9980 0.9200 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4250 -1.9830 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -0.4180 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -0.0530 2.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 0.7400 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 1.6330 2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8980 2.8830 2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 3.3750 2.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4800 4.2630 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6150 2.4860 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 1.3750 3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 0.2940 4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2870 0.3660 5.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1030 1.4940 5.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7840 2.5770 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 -1.0170 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 -1.9700 2.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 0.6420 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 1.8250 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 2.5360 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 2.0750 -4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 0.9100 -4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 0.2090 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 -0.9090 -3.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 1.7670 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 1.6710 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 2.0720 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.6090 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.2100 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 0.0840 3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 1.4020 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 3.4530 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5010 -0.5990 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5590 -0.4710 5.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0060 1.5310 5.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4260 3.4500 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 2.1990 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 3.4430 -3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 2.6200 -5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 0.5450 -5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -1.0440 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 0.7360 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7000 0.9610 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -0.7040 0.5910 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 52 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 34 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 54 -1 M END