IBS-ZINC05454375 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -0.6830 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -0.1040 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8690 -1.1420 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -2.3140 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -2.0200 -0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -3.6640 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -4.8320 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 -4.9140 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 -5.8710 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -7.2540 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -8.0370 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2160 -7.4510 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 -6.0920 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 -5.2770 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0330 -3.9350 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -8.3090 -0.1300 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3100 -9.5220 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 -7.8020 -0.1380 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 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 1.2170 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9890 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 0.9550 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -1.0360 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -7.7150 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -9.1130 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 -5.6470 -0.1130 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 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 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END