IBS-ZINC06719487 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -1.7340 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.4150 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -2.2560 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -3.6560 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -4.1630 -1.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 -5.3860 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -6.0660 -2.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -5.9070 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -7.3070 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 -7.8200 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1680 -7.7490 -0.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1050 -6.4700 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6570 -5.9720 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8410 -9.0850 -0.1300 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.7290 -8.6030 0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2520 -9.9380 -1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5490 -9.9310 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2710 -9.6230 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 -10.2850 2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -11.2600 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -11.5680 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8180 -10.9060 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -11.9120 2.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -12.9040 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.0330 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -2.3030 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -1.5890 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -3.6080 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -4.3230 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -3.6180 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 -5.2400 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -7.2650 -3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 -7.9810 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 -7.2000 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6390 -8.8540 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7440 -5.7390 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -6.6120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -6.6580 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 -4.9780 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 -8.8630 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 -10.0430 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -12.3260 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 -11.1490 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -13.6800 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -12.4420 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -13.3460 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 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 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 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 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 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 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END