IBS-ZINC05197854 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -1.6030 0.9070 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -0.3220 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -0.8690 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -2.0570 0.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -3.0520 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -4.1220 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -4.2220 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -3.2660 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -2.1290 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -1.0950 -0.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.4820 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -0.9690 3.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 0.2970 2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 0.6500 4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 1.4330 4.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 1.8500 4.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 1.5420 2.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 0.9180 1.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1500 0.1270 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 1.9180 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 1.6180 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 2.5200 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 3.7370 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 4.0400 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 3.1470 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 5.2110 0.6300 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 2.2310 2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 1.5130 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 3.5420 2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 1.2760 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 0.3290 5.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 1.5320 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 1.5020 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 0.6430 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -2.9310 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -4.9220 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -5.1000 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -3.3440 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 0.6690 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 2.2680 -2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 4.4440 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 3.4300 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.3360 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 3.2340 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 1.5010 3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 0.4780 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 3.4750 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 4.1950 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4740 3.9110 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 0.3170 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 1.1460 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3390 1.7570 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.6240 4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 2.1630 2.1240 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1450 2.2560 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 31 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 54 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 54 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END