PUBCHEM-ZINC02547076 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -3.3660 -1.0910 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -0.7290 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.4570 2.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -1.2920 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -0.5670 0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -2.1100 2.8160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7730 -1.7600 3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -1.9100 2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -4.1940 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -3.6290 2.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0100 -3.9170 3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -4.1780 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -4.5450 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -5.0330 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -5.1590 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -4.8010 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -4.3130 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -5.6660 -2.5750 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4820 -5.8910 -2.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -5.8420 -3.3530 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5140 -3.4830 2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 -2.3900 3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 -2.0890 4.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0020 -1.0510 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -0.3050 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 -0.5960 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 -1.6330 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -0.8450 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -0.5570 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -2.1680 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -1.0020 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 0.3460 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -1.9770 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.9790 3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -4.4180 4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -5.0770 2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -4.4440 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -5.3030 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -4.8900 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -4.0420 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -3.8270 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -4.3430 3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -2.6600 5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -0.8240 5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1110 0.5020 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 -0.0140 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 -1.8390 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -3.0680 3.3900 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2370 -2.7480 4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 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 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 48 1 M END