PUBCHEM-ZINC00450903 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.3530 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -3.7220 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5660 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0410 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -2.6730 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -6.0590 1.7640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3550 -6.2960 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -6.5770 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -6.6970 1.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -7.9020 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -8.4610 2.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -8.5460 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -7.9080 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -8.5140 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -9.7510 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -10.3890 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -9.7970 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -11.7130 2.1460 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6660 -12.2390 1.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -12.2760 2.9330 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -1.6940 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -4.1340 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -4.7020 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.2640 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 -6.1030 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -7.6580 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -6.3410 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -6.2510 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -6.9410 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -8.0210 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -10.2210 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -10.2980 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END