IFLAB-ZINC04079541 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 0.0440 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1930 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7170 1.6100 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 3.4110 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2540 -2.1540 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -2.8520 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -4.3140 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -4.9020 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -5.0790 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -6.4790 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -7.1470 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -6.4170 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -5.0980 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -4.4170 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9000 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -0.4730 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -2.6750 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -2.3310 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -7.0240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -8.2270 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -6.9360 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -3.3380 0.0190 H 0 0 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 19 29 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END