IFLAB-ZINC05251424 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.0030 1.5070 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.0230 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5260 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.5180 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -0.6540 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -0.3660 -2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -1.1580 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -1.4450 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -1.2930 -2.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 -1.8730 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -2.7580 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 -3.3290 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9190 -3.0200 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 -2.1390 -3.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -1.5600 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 -0.6130 -4.3720 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7500 -0.2700 -5.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 -0.1770 -4.4240 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0290 1.8750 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8650 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.8710 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.3870 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.1620 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -1.6160 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -0.1580 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -0.7480 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -0.9880 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 -3.0000 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 -4.0180 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9020 -3.4680 -2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2650 -1.9000 -4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 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 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END