IBS-ZINC05461252 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 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 1.2240 -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 2.3840 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 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7170 1.6090 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 3.4100 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2530 -2.1540 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -2.7400 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -2.9330 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -4.7060 -0.0250 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -5.3560 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -4.6370 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -7.4260 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 -5.4520 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -6.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -6.6840 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -7.8280 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 -7.5330 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -6.2110 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -5.2240 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 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 -0.4740 -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 -0.6050 -2.6860 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -2.6770 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -8.8520 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -8.3290 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 -5.9840 0.0290 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 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 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 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 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END