IBS-ZINC05209886 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 1.1250 -0.2680 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -1.4640 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -2.1470 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -1.1090 0.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -1.7620 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.5950 -1.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -1.3850 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -1.9860 -2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -2.9970 -2.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -3.6760 -4.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7980 -3.6680 -3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -3.0530 -5.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -1.8350 -5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -1.7780 -5.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -5.1610 -4.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -5.3450 -3.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -0.3630 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 0.0210 -0.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 0.1430 0.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -0.1690 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 0.3890 2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -0.5940 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 0.2100 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 0.4920 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.1980 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -1.4700 3.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.9990 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -2.5210 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 -1.6980 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -3.3400 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -2.7780 -5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -3.7840 -6.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 0.8350 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -1.0320 -6.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1530 -6.0250 -4.1690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 34 -1 M CHG 1 35 -1 M END