MMs01063274 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 1.3045 0.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9025 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5005 0.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5114 2.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0985 0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 -0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3811 -1.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0766 -2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7831 -1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0657 -3.8161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3593 -4.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3483 -6.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6637 -3.8350 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6637 -5.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6747 -2.3351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9573 -4.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2617 -3.8539 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5553 -4.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8597 -3.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1533 -4.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4578 -3.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4687 -2.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1751 -1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8707 -2.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7731 -1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5924 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 -0.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 1.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0825 1.6541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -0.9325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 -0.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 1.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 1.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1873 -1.2378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 1.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4356 0.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7395 -2.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0222 -4.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7182 -1.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 -5.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7219 -5.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7773 -5.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3199 -5.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1446 -5.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4926 -4.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1839 -0.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8358 -1.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3656 -2.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8167 -1.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1807 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END