PUBCHEM-ZINC00455482 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 -0.3890 1.7090 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 0.2890 0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.3750 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -1.7640 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -2.5680 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -1.9890 2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -0.5940 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 0.2080 2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.8490 3.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -3.5040 4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -3.4320 4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -4.1550 3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -3.6110 2.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 -3.6590 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -4.0000 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6680 -3.1270 3.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 -4.9140 2.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9330 -4.9240 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 -6.3740 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8270 -6.5560 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0510 -6.1490 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3520 -4.6700 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6010 -3.6690 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1340 -4.0020 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 2.0410 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 2.0780 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 2.1300 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -2.2240 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -3.6450 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -0.1060 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 1.2830 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -2.4330 4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -3.8790 3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -4.5340 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -2.9080 5.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 -2.3790 4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 -3.8740 5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -5.2260 3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 -2.5770 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -4.1840 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -3.1680 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -4.6880 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9080 -5.6010 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5020 -4.5190 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 -6.9220 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7090 -6.8630 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5160 -6.0320 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0620 -7.6240 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 -6.7220 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1850 -6.4400 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4270 -4.5010 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1580 -4.4400 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1290 -3.5440 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6580 -2.6920 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6590 -4.4200 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6160 -3.0540 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -2.9240 3.7390 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1840 -1.9530 3.6320 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 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 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 57 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END