PUBCHEM-ZINC04517466 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 0 0 1 0 0 0 0 0999 V2000 1.7310 0.7290 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.3710 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -1.1150 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -0.7600 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -1.4630 2.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.3970 1.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 1.1050 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 2.2450 0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -2.3170 0.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2310 -2.4490 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -3.5860 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -3.9520 -1.6000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0990 -5.0330 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -3.4080 -1.3660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8590 -4.0750 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -2.1760 -0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -3.1050 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -2.6170 -2.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -1.9590 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -3.2700 -2.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -4.1850 -3.8760 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -4.8990 -3.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -2.9840 -4.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -3.3590 -6.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -3.5270 -7.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4540 -4.1080 -6.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -4.1130 -8.4900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9540 -5.1900 -8.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -3.7520 -9.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.4640 -8.8090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0070 -2.5720 -8.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -2.2420 -7.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -1.2980 -9.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -0.1850 -9.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 0.6810 -10.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.1060 -11.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -1.1220 -10.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -1.9620 -11.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -1.4550 -12.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -0.2810 -13.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 0.5310 -12.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.7300 -13.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -3.4850 -8.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -2.5270 -8.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 1.3310 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.7180 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 2.8420 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 2.4950 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 -3.4510 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -4.3770 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -2.3230 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -4.0010 -3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -2.5590 -6.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -4.2840 -5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -3.6430 -10.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -4.5300 -9.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.0540 -8.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -2.0690 -13.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 2.3430 -12.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 1.9680 -14.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -4.9320 -4.5290 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 2 0 0 0 0 34 57 1 0 0 0 0 35 36 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 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 58 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 59 1 0 0 0 0 42 60 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 61 -1 M END