OTAVA-ZINC06142278 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0210 1.3980 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 0.0530 -0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -0.6540 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 0.0760 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.4530 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 2.1880 -0.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 1.8920 -0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 0.7890 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 -0.3240 0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 3.2690 -0.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0970 3.8910 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 3.7820 -1.7330 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4140 4.1580 -2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 4.9890 -1.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5580 5.8760 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 4.6040 0.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7110 5.4400 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 3.5180 0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 4.1590 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 3.9010 1.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 3.3440 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 5.2690 -2.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 4.3920 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 2.9480 -2.4130 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0670 -2.0280 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -2.7940 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -4.2700 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -5.1570 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -4.5750 0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 1.9070 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 0.8660 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3960 3.2330 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9130 4.9330 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -2.4820 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -2.4490 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -2.6390 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -4.6120 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -4.4230 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -6.3900 0.4750 O 0 5 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 30 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 25 26 1 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 28 29 2 0 0 0 0 28 39 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 39 -1 M END