MMs01174995 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 59 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 1.2960 -0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4921 -0.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0901 -0.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0841 -2.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3530 0.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7004 2.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9964 1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6882 -0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2863 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6590 -0.2034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6582 -1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9029 -2.6182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4370 -2.3004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.1506 -1.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0274 -2.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5198 -2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3965 -3.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7809 -4.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2885 -4.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4117 -3.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 0.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -1.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 -1.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 0.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 0.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -1.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6617 -1.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4285 0.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9712 0.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 -1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2597 -1.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7990 1.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 1.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9925 2.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9328 3.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 3.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4114 2.5733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1773 1.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9131 -1.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4558 -1.7198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8245 -0.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2313 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0123 -1.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5904 -3.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4823 -5.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7959 -6.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2178 -3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 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 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 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 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 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 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 M END