MMs01059344 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 1.2978 -0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 -2.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 -2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8959 -0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -0.7605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7966 1.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0920 -0.7647 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0528 -1.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0896 -2.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5515 1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0192 1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7671 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7616 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2228 -2.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6895 -2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6950 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2338 0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1618 -1.5719 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.4760 -0.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8475 -3.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6285 -1.8861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2364 -3.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7284 -3.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0426 -1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7448 -0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6017 1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 -1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2552 -2.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 -4.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 -2.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 1.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 0.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 -1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8896 -2.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 -3.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2896 -2.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6610 2.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5091 2.8796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4184 -2.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0585 -3.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0382 1.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0945 -3.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4840 -4.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7265 -4.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9216 -3.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1833 -2.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5325 -0.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8543 -0.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4517 0.0854 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 37 1 0 0 0 0 6 7 1 0 0 0 0 6 8 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 14 1 0 0 0 0 12 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 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 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END