MMs02958724 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 69 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 1.3599 0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -0.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 0.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 1.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0444 -1.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2725 -2.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6324 -2.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1240 -0.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4112 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9001 1.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5332 0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4355 -0.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0054 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9902 1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4844 0.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2562 -0.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0714 2.3358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9400 3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2272 4.7929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6458 5.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7772 4.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4900 2.8232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.6491 3.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6215 1.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0400 2.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1715 1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8843 -0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4657 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3343 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9157 -0.1213 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.1958 4.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3272 3.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4830 6.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9016 6.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1887 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9330 6.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6538 2.5489 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5064 1.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 -0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 -1.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6722 1.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 1.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -2.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1672 -4.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6150 -2.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6413 1.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5933 2.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4826 2.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3953 -1.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1549 2.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3063 1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7894 -0.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2360 -1.7965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0885 5.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1014 6.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3665 7.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4185 9.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0109 8.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1108 6.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1627 7.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7552 6.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 9 10 2 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 50 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 15 2 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 M END