OTAVA-ZINC05486083 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.0450 1.5310 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 0.0010 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5610 -0.3600 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.5070 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -2.0130 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -2.6860 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -2.0190 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -3.0970 -0.0580 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -4.4930 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -4.1050 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -5.0960 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -4.8190 1.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -6.3630 1.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -6.6660 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -5.7820 0.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -7.4370 1.8720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7490 -7.0230 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -8.0980 3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -8.4650 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -8.3140 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -9.5510 1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 -10.5520 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -10.2170 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -11.2060 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -12.5300 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -12.8730 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -11.8860 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -12.2210 1.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -13.6080 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -0.5220 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 1.9020 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 1.8910 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 1.8900 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 0.0030 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -0.3100 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -2.2000 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -2.4110 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -7.6980 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -8.8970 3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -7.3540 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -8.5120 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -9.6400 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -9.1830 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -10.9430 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -13.3000 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -13.9080 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -13.7360 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -14.1590 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -13.9880 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -0.0270 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -0.3220 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 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 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 29 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 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END