IBS-ZINC02131708 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.0350 1.3470 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.0240 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -0.6810 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.0240 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.3970 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 2.0630 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 2.1260 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 3.3350 -0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 1.3560 0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 0.0030 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -0.6720 0.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 1.9960 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 2.3530 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 3.0580 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3410 3.2900 2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6320 3.0340 3.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 3.8080 3.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4880 4.2550 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3920 5.2660 2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 4.6780 4.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 3.9740 4.3500 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6060 4.6100 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5860 2.6560 5.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 1.7490 4.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 1.8580 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.5850 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -1.7500 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1330 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 -0.4980 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8190 1.3030 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 2.8960 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 2.9950 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 1.4410 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6010 2.4510 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 4.0260 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0540 3.3860 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 4.6890 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3330 5.4200 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8800 6.2330 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4370 3.9840 4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8160 5.4540 4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2980 2.6620 6.3340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 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 12 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 42 -1 M END