PUBCHEM-ZINC04756032 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.7820 1.0910 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -0.0020 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -0.4710 -0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -1.5050 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -1.9540 -0.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6710 -2.3050 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -3.0220 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -3.4600 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 -3.2590 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 -3.8680 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 -4.1290 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 -4.7650 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -5.0240 -3.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4920 -5.0410 -2.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8410 -5.4970 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3350 -4.7290 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9350 -4.1520 -0.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7940 -5.0810 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0300 -6.5720 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4610 -7.0900 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6800 -8.4570 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4670 -9.3300 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0430 -8.8340 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8360 -7.4580 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3730 -6.9930 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -3.8450 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -0.8310 -0.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -0.0900 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 1.4820 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 0.7110 -2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 1.9150 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.8280 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 0.3940 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -2.3430 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.0920 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -4.0220 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -2.7340 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -2.8340 2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -4.5070 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7220 -3.7000 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3870 -2.1880 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3920 -4.6750 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1360 -4.5720 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6360 -6.4280 -3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0190 -8.8400 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6330 -10.3960 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8780 -9.5330 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8800 -6.0710 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6010 -7.7360 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2900 -6.8340 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 -4.7880 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -3.2600 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -3.0510 0.3900 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0470 -2.0480 0.1830 H 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 53 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END