MMs02048635 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 1.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7469 -1.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2469 -1.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4939 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 1.2796 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6530 2.3188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0061 2.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5061 2.5733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3906 3.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0822 5.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6567 5.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1993 6.2538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9526 7.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6248 5.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7419 6.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9332 4.3190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8161 3.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8126 1.8179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3849 1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9180 -0.0677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9191 -1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4522 -2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4533 -3.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3587 3.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 2.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 2.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3445 -2.3485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -1.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5317 -3.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6264 1.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9642 2.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8794 2.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2173 3.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7437 -0.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6601 -0.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9773 -1.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3940 -2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7112 -3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0798 -4.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9852 2.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4991 3.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7322 4.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3975 -1.0590 0.0000 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 9 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 38 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 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 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 25 1 0 0 0 0 15 16 1 0 0 0 0 15 23 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END