PUBCHEM-ZINC06417288 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 66 0 0 1 0 0 0 0 0999 V2000 -0.4840 1.3280 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -0.1330 0.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6310 -0.2610 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -0.9500 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.6930 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.0590 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -0.5220 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -0.0110 -2.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 -0.7380 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -1.9040 -1.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 0.1350 -2.2840 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8690 0.3320 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5230 -0.5090 -3.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3780 -1.5850 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 -0.2060 -2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6810 -0.4060 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 0.2380 -5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 1.4790 -4.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4650 2.2110 -4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 1.3980 -2.9650 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2280 2.2850 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 1.2450 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 2.1140 -3.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 1.8870 -5.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 3.1830 -6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 3.6100 -7.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 2.7530 -7.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.4540 -7.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 1.0240 -6.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 3.2150 -8.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 3.1320 -8.5780 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5840 2.7710 -7.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 3.4440 -9.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 1.9410 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.4040 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 1.6410 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.0320 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -1.3020 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 0.4070 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -0.8570 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -1.9930 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -0.5490 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -1.7730 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.5340 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 1.0340 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -0.3360 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -1.6170 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.1600 -3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 0.8270 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -0.8740 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6800 0.0390 -4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7890 -1.4760 -4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 1.2890 -5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 -0.3000 -6.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 3.8880 -5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 4.6310 -7.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 0.7610 -7.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 0.0140 -5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 0.1450 -4.5410 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8000 -0.4720 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 3.7120 -9.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 3.7600 -9.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 4.0460 -10.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 22 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 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 59 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 59 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 59 60 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 M CHG 1 2 1 M CHG 1 31 1 M CHG 1 59 1 M END