CHEMBRIDGE-ZINC04433162 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.1210 1.5110 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 0.0360 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -0.8060 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.4470 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -0.8270 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -1.2960 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -2.6680 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 -3.1920 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4290 -2.3500 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 -0.9820 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 -0.4460 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 1.0120 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 1.4320 -1.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 1.8010 0.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 3.2660 0.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7610 3.6720 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 3.7180 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 3.2860 -1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 3.8100 -2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9670 3.1310 -3.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 3.2960 -4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 2.1850 -3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 2.2620 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4890 1.3870 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9920 0.4690 -3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4780 0.4150 -4.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 1.2730 -4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 3.8810 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 3.0680 2.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.0960 -1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 1.8900 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 2.1270 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 1.6770 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.7540 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.8600 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -0.4770 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -3.3380 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -4.2580 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 -2.7570 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1260 -0.3440 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 1.4160 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8290 3.3500 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 4.8140 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 4.5930 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8990 1.4230 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7920 -0.2050 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8820 -0.3040 -5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0490 1.2300 -5.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 0.3510 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 5.1000 1.9990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 30 49 1 0 0 0 0 M CHG 1 50 -1 M END