IBS-ZINC00531031 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.5090 2.2740 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 1.0360 -1.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 0.9760 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.1290 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 2.0370 1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 0.7880 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -0.3670 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -0.3040 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -1.5520 -0.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -1.8910 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -3.2860 -1.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -3.8710 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -3.1190 -4.0840 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1390 -2.1070 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -3.4580 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 0.6570 4.0140 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 3.0140 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 2.0930 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 2.6470 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 3.1250 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 2.9430 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -1.3310 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -2.3100 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -3.8980 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -1.1820 -2.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.2000 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -5.2040 -3.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -5.8070 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -5.6380 -4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 25 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 13 1 M END