PUBCHEM-ZINC04455285 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 2.5900 -1.0400 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4370 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.7360 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -1.0500 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.2660 2.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6020 -0.3230 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.7840 3.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 0.1520 4.6760 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4350 -0.0600 5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 1.6060 4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 1.4850 2.4360 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -0.0010 4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -0.8140 4.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 0.7650 5.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 0.6160 5.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 1.5960 6.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 1.2460 8.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 2.1040 9.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.0290 3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.3610 5.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -2.9880 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -4.3550 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -5.2460 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -4.7880 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -3.4290 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -2.5300 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -5.6700 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -5.1310 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -2.1260 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -0.6690 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -0.7540 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 0.6420 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -1.8140 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -0.3330 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.2720 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -2.0890 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -1.0060 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.8440 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 2.3260 4.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 1.4150 6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -0.4040 6.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 0.8280 4.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 1.5490 6.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 2.6080 6.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 2.0670 9.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 3.1260 9.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 1.7720 10.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -4.7120 4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -6.3030 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -3.0770 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -1.4740 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -4.4370 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -4.6050 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -5.9410 -2.1020 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 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 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 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END