IBS-ZINC03999016 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 2.3840 1.4680 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0890 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6330 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 0.0180 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3840 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.1120 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 3.4930 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 4.2370 0.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2290 3.5740 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 5.4100 1.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2280 5.7070 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 6.5460 0.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9240 6.8340 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 5.9240 -0.8270 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6620 5.5220 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 4.8590 -1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 6.9680 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 6.4080 -3.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 7.6730 0.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 5.0510 2.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.7490 -0.3170 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.9530 -0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.1770 -0.0910 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6740 -0.6050 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 0.0250 -0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 2.0310 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -1.7000 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 1.8880 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 3.9590 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 7.2660 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 7.8400 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 7.0160 -3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 8.0640 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 4.3030 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -1.9370 -1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -2.3460 -1.3270 H 0 0 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 24 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 21 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 2 0 0 0 0 24 35 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END