CHEMBRIDGE-ZINC04114990 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 0.9340 -1.2840 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.8540 -1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -1.3200 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -0.9400 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -1.4100 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -2.2730 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -2.6530 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -2.1820 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -2.7790 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -4.0960 0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 -1.9060 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6520 -2.2400 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -0.9800 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 -0.9170 0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 0.0780 0.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 -0.3980 0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8640 -0.0890 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 0.1500 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 1.0220 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 1.5200 1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 1.1200 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 0.2450 3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -0.2050 2.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0540 1.4810 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0000 2.0460 1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 3.4690 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5120 4.0100 3.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4760 4.7100 3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8440 5.0150 4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0710 4.5150 5.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4800 3.9170 3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0980 -3.3670 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.8390 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.9700 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -2.3700 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -0.2730 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -1.1140 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -3.3190 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.4770 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.3110 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 2.2020 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 1.4870 4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 -0.0720 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3880 2.0540 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0740 1.5480 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5940 1.4180 2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 2.0640 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 4.0970 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5980 3.4510 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 4.9680 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 5.5660 5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4340 3.4260 3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 -4.3330 0.5270 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 1 0 0 0 0 9 11 2 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 16 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