IFLAB-ZINC04139394 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 0.1410 2.0300 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 0.5700 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -1.3000 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -1.8460 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.7320 -3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -0.1610 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -2.6570 -5.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9380 -1.9880 -5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -4.0450 -4.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -4.5320 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -5.8820 -5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -6.3870 -4.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -5.2330 -3.8740 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.6340 -6.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3430 -1.5930 -6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -3.4540 -5.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -3.0120 -7.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -2.2090 -8.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -1.1350 -7.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -2.6990 -9.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -4.0640 -9.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -4.4740 -10.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -3.5280 -11.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -2.1600 -11.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -1.7510 -10.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 -1.1440 -12.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 2.6210 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 2.1590 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 2.4470 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 0.4790 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -0.0510 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -2.0040 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -1.0960 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -1.1500 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -2.8100 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.9310 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -0.0340 -4.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 0.8220 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -0.8300 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -3.9520 -6.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -6.4580 -5.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -7.3810 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -3.2300 -4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -3.2310 -6.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -4.5300 -5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -3.8670 -7.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -4.8240 -8.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.5340 -11.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -3.8670 -12.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -0.6890 -10.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -0.8960 -13.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -0.2280 -12.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -1.5250 -13.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 0.0110 -1.5260 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4770 0.7030 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -2.0440 -3.6740 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1440 -2.7570 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 54 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 56 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 56 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 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 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 54 1 M CHG 1 56 1 M END