PUBCHEM-ZINC06181980 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 1.1400 -0.9990 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -0.2360 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -0.7730 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -0.0780 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -0.6320 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.8760 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -2.5120 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -1.9540 0.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -2.4770 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9960 -1.7150 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 -0.5030 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 -2.3510 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 -3.7340 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8790 -3.9060 0.4030 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.5030 -2.6560 0.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4560 -2.5010 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -1.6960 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7580 -0.2360 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7850 0.3460 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9790 1.7110 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1600 2.5030 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1410 1.9330 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9390 0.5690 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5210 -5.1210 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7870 -6.3040 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4370 -7.5210 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8130 -7.5680 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5460 -6.3990 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9080 -5.1760 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -0.4580 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -1.1600 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -1.9620 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 0.8850 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -0.1140 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -3.4760 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -3.4410 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -4.5190 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4250 -0.2710 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7730 2.1620 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3170 3.5710 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5050 2.5570 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 0.1240 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 -6.2680 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 -8.4380 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3170 -8.5230 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6210 -6.4420 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4810 -4.2640 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 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 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 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 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 1 14 1 M END