IBS-ZINC05025553 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 1.6700 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 1.2550 3.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 1.7240 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 1.1450 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 1.7010 4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 2.4020 5.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 2.8480 6.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 2.5680 7.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 1.8290 6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 1.4210 4.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 1.5260 6.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 0.7480 5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2170 0.5560 5.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.2670 0.1170 6.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9610 -0.3360 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3760 0.2790 4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3200 1.4700 5.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9200 1.8180 5.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 3.0450 8.2310 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2710 4.1330 8.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 2.3500 9.2300 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9650 3.5800 7.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.4210 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.0020 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 1.3000 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 2.7580 3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 1.3940 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 2.8120 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.0570 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.5140 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5250 1.8300 7.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 1.2790 4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -0.2260 5.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4730 -0.2920 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0100 -1.3650 4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5880 0.6280 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1250 -0.4450 4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8970 2.3100 5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6940 1.1720 6.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 3.7710 7.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 3.9020 8.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END