IFLAB-ZINC04331223 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 0 0 0 0 0999 V2000 0.2890 1.4820 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.0240 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.7190 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -2.1140 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -2.7240 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -2.0210 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -0.6980 -1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.6920 -2.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -2.1150 -3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -3.1080 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -4.3280 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -4.0810 -2.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -2.9340 -5.9420 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2020 -1.8160 -6.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -3.9100 -6.6610 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0630 -2.8540 2.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -4.2490 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -5.0250 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -6.4030 3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -7.0140 2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -6.2390 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -4.8580 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -7.0700 0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -8.3400 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -8.3320 1.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 1.8650 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 1.8330 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 1.8390 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.1940 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -1.0550 -3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -5.3080 -4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.4040 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -4.5510 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -7.0040 4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -4.2550 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -8.4130 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -9.1580 0.1050 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END