PUBCHEM-ZINC06499581 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 1 0 0 0 0 0999 V2000 -1.6740 2.7110 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 1.3820 1.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0670 1.5820 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 0.7140 2.7410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2770 -0.0640 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 0.0470 3.2820 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4210 0.7150 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 0.2610 0.7900 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1360 -0.5080 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 0.6750 -0.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3530 1.6150 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.7970 -1.6890 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2010 1.1100 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 1.7720 -1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -0.4850 -2.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -1.0450 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -0.3960 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -1.1140 -1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -1.2150 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -2.2430 3.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 1.8200 3.9640 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 2.2730 3.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5700 2.7200 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 3.2930 3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 2.9490 3.4910 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6790 2.5850 4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 1.1250 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 4.1420 2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 4.1330 1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 5.2360 3.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 6.4330 3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 5.3070 5.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 3.4560 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 3.1570 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 2.5860 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 1.4210 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 1.8520 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 2.7710 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 4.3120 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 3.1990 4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 0.5090 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 0.4800 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 7.2920 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 6.5800 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 6.3640 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 4.3370 5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 5.6980 5.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 5.9890 5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -0.3910 1.9950 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2190 -1.4260 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4960 -0.3760 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -0.4720 0.9710 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1670 -1.0880 5.3280 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0650 1.8380 2.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 1.2400 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 49 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 52 1 0 0 0 0 19 20 2 0 0 0 0 19 53 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 54 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 49 1 M CHG 1 52 -1 M CHG 1 53 -1 M END