IBS-ZINC02127268 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 1.5050 0.5520 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.1590 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -1.2530 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 0.2780 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 0.0650 -0.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5460 -0.8750 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 0.0080 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 1.0710 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 1.1720 -1.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 1.2590 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 0.3760 -3.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 2.5440 -3.2120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3490 3.3420 -2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 2.3930 -3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 2.9150 -4.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 2.2930 -5.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 2.5740 -6.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 3.5730 -6.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 3.8990 -8.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 4.8800 -8.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 5.5440 -7.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 5.2290 -5.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 4.2450 -5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 3.8930 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 4.4640 -3.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 0.5030 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 1.5760 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.1140 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 0.8620 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -1.9930 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -1.5370 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.3210 -2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -0.4370 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 1.2750 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 1.8890 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 2.2930 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 3.2670 -3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 1.5010 -3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 1.4970 -5.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 3.3820 -9.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 5.1240 -9.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 6.3070 -7.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 5.7490 -5.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -1.0670 1.5320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 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 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 44 -1 M END