PUBCHEM-ZINC03766485 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.3310 -0.6580 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -0.6020 0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -1.1270 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -1.0810 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -1.5570 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -2.0790 -3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.1500 -2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -1.6740 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -2.4950 -4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -1.6080 -5.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.1030 -5.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3610 0.3440 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.2640 -6.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.8150 -7.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -0.8190 -8.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -2.0410 -6.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -3.2000 -7.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 1.6420 -7.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.9960 -6.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 3.8140 -6.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0350 5.3300 -7.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 5.8530 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 6.8270 -6.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 0.3730 -5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 1.0620 -4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 1.4660 -4.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 1.1890 -5.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 0.5210 -6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 0.1120 -6.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 1.5870 -5.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 1.3240 -6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -3.8530 -4.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -0.0670 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -1.6930 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.2190 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -0.6700 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -1.5120 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.5580 -3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -1.7350 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 1.7500 -8.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 2.3170 -6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4510 1.9520 -5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 1.3220 -7.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 3.2900 -7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 3.5390 -5.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9430 5.7560 -6.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 5.6100 -8.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 1.2720 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 1.9820 -3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 0.3010 -7.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.4220 -7.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -4.0440 -5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 3.3800 -7.1850 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0290 4.0990 -6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 3.5030 -8.1780 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 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 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 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 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 32 52 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 53 1 M END