MMs01182231 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 55 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 -0.7457 -1.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2457 -1.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9914 -2.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2371 -3.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -3.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5086 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 -1.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 -3.8897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 -5.2620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3467 -6.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 -6.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0718 -5.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -4.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2234 -4.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2234 -3.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7552 -1.8055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 -2.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7552 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 0.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6916 -2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2234 0.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 -5.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -4.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 -0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5966 1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 0.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 -0.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1914 -2.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8337 -4.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 -4.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 -7.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 -7.2305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 -5.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2431 -4.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9653 -4.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 -2.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 -0.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2672 -0.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -3.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -1.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 -1.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1216 -2.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0662 -3.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 -2.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1178 -0.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0234 1.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3290 0.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2677 -7.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -7.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 52 53 1 0 0 0 0 M END