IBS-ZINC01800425 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -2.1770 1.4820 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.0380 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -0.5180 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -1.8420 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -2.6140 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -2.0620 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.7350 -1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -2.9040 -2.8640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0530 -2.3120 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -3.3840 -3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.6520 -4.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -4.7360 -4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -5.7790 -5.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 -5.4920 -5.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -4.2320 -5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 -3.1810 -5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -3.4420 -4.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -2.6540 -3.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -1.7180 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -5.7200 -3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -5.0310 -3.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0480 -5.7800 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -4.2940 -4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -3.1580 -4.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -2.4350 2.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7850 -1.7560 2.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -3.6020 2.1880 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2900 2.1100 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 1.6120 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 1.7700 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 0.0830 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -3.6480 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -6.7650 -5.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8380 -6.2740 -6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -4.0630 -6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -2.2020 -4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -6.4030 -3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -6.2710 -4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.1920 -3.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -4.0760 -2.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -3.7970 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -4.8990 -5.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -4.3860 -6.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 0.2050 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 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 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END