IBS-ZINC05112175 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.0800 1.4450 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 0.0170 -0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.5920 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -2.1140 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -2.5660 -1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -3.9130 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -4.7790 -1.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -6.0820 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -6.5300 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -5.5900 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -4.3020 -1.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -5.9890 -0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -5.6450 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -6.2270 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -5.6590 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 -5.9890 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -5.4140 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -7.9710 -0.7180 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0620 -8.4590 0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -8.6680 -1.7100 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7480 -6.9820 -0.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.8150 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 1.7800 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 1.8300 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.2990 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -0.2650 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -2.5760 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -2.4000 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -1.9200 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -4.5610 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -6.0590 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 -5.9580 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -7.3120 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9240 -4.5770 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -6.1030 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 -5.5500 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 -7.0710 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -5.6600 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -4.3310 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -6.6640 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -7.9310 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 18 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 17 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END