IBS-ZINC01767425 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2210 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 0.0400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1880 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6020 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 3.4060 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2480 -2.1620 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.9970 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -4.3040 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -4.1920 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -2.6310 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -2.9540 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -5.5640 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -5.5330 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -6.7480 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -7.9430 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -9.0830 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -10.3410 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -11.5700 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -12.7420 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -12.7030 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -11.4890 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -10.3090 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -13.9660 -0.0460 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9450 -15.0360 -0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -13.9340 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 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 3.3610 -0.4790 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -2.7160 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -6.7720 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -9.1100 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -11.6020 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -13.6930 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -11.4660 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -9.3620 -0.0130 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 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 15 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 27 1 M CHG 1 29 -1 M END