IBS-ZINC02136901 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.3810 1.8380 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 0.3350 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.2460 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -0.3570 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -1.8700 -0.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0490 -2.3470 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -2.4710 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -2.9150 -1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -2.4610 1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -2.9610 1.4460 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6050 -2.5270 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -4.4820 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -2.5280 2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -1.9290 3.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -2.2810 -1.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -3.3850 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -4.0110 -0.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.8100 -2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -4.8940 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -5.2750 -3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -4.5730 -5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -3.4910 -5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -3.1150 -3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -2.0440 -3.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -1.5330 -4.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -1.6050 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -0.6520 -2.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 2.3530 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 2.2800 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 2.0370 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 0.2120 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 0.3090 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -0.1980 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -1.2900 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -0.2050 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 0.1580 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -2.0730 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 -4.8560 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 -4.8490 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -4.9320 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -5.4450 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -6.1190 -3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -4.8720 -6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -2.9560 -6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 -2.8070 3.3180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 45 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 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 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 45 -1 M END