CHEMBRIDGE-ZINC04114990 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.6360 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -2.0260 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -2.6700 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -1.9260 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -0.5270 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1080 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 -2.6100 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -3.8220 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 -1.8070 0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6560 -1.5350 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 -2.1750 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6440 -2.1560 2.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3790 -2.7740 0.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3760 -2.6210 -0.5510 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.0170 -3.6000 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 -1.8830 -1.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0600 -2.5120 -2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6080 -1.8240 -4.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0480 -0.5250 -3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9260 0.0370 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4030 -0.6480 -1.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6450 -3.4920 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7230 -2.5210 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0460 -3.2710 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0780 -2.3410 -0.7800 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3860 -2.0540 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3890 -1.1560 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6850 -0.9000 -0.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9080 -1.6120 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 -0.9210 2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -3.7490 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 0.0520 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1860 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7060 -3.5250 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6900 -2.2900 -4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4800 0.0400 -4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2660 1.0490 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5190 -4.2900 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9460 -3.9210 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8500 -1.7230 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4230 -2.0930 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9200 -4.0690 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3470 -3.7000 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9160 -2.4690 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8700 -0.7170 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9240 -1.6140 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 -0.8720 -0.4940 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 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 32 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 31 52 1 0 0 0 0 M END