IBS-ZINC04089765 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.4550 1.2850 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.0900 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.7110 1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -0.5090 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 0.0170 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 0.3650 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.8950 -2.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 0.0630 -1.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 0.2100 -0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6730 0.3610 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 -0.9740 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 -0.9620 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 -2.3060 -1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2330 -2.9250 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 -4.3170 -2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 -5.0890 -1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 -4.4970 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -3.1050 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -2.2710 -0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -2.5840 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 0.3060 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 1.4800 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.7540 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -0.9190 2.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -0.9900 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 1.9490 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.7750 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 1.2080 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 -2.3380 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0630 -4.8020 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 -6.1690 -1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 -5.1020 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 0.2590 -2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 0.4630 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 1.4200 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3310 2.4300 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 2.7740 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 2.7560 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 3.6060 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 -1.2390 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -0.5760 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -1.9770 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -1.1480 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 1.4980 -0.7720 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1000 1.4930 -1.6230 H 0 0 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 8 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 44 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 44 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 44 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END