IBS-ZINC04753976 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2060 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 -0.6510 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -0.2460 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 -1.2300 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 -2.2140 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -1.8630 0.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 -1.0550 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 0.0280 -1.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 0.9230 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 0.8030 -1.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0140 -1.9850 -0.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2840 -1.7940 -1.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2220 -2.6690 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5570 -2.4680 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5690 -3.4060 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8160 -3.2130 -2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0700 -2.0910 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0770 -1.1550 -3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 -1.3370 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 -4.2080 -1.8230 N 0 3 0 0 0 0 0 0 0 0 0 0 14.6670 -5.1950 -1.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9900 -4.0390 -2.3120 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 1.9750 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -3.1070 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 1.7870 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 -2.7710 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0230 -3.5440 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3740 -4.2820 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0490 -1.9470 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2830 -0.2830 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8390 -0.4210 -2.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8080 0.2880 -2.0620 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END