MMs01798639 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 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 -0.7464 -1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2464 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9928 -2.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 -3.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 -3.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 -2.5939 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 -5.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -6.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4928 -2.6105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2464 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7464 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4928 -2.6187 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.9928 -2.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8778 -1.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3031 -1.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2990 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8711 -3.8388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4037 -5.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5101 -4.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9379 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8163 -5.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9313 -6.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5060 -5.7642 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 -0.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 0.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8493 -0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 -4.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 -7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6292 -7.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -5.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -3.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5413 -0.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8752 -0.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5439 -5.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0297 -6.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2635 -4.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3119 -2.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0163 -5.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2989 -7.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 M END