s1000.mol corina 12080917183D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 27 29 0 0 0 0 0 0 0 0999 V2000 0.0678 1.3750 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 0.0251 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0734 -0.7807 -0.0202 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -0.2891 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 1.1744 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 2.0157 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -0.6116 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4058 3.3809 0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2852 -1.0392 -0.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7291 1.7069 0.0122 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 -2.2328 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 2.9146 -0.0721 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1946 4.1945 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 5.6751 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 6.5120 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 6.9566 1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2326 7.7243 1.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 8.0478 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5703 7.6039 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 6.8399 -0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8109 -2.7173 -1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -4.2111 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 -4.7386 -1.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8473 -6.1088 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2485 -6.9514 -1.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5262 -6.4239 -1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7082 -5.0536 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 2 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 3 11 1 0 0 0 0 10 12 2 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 15 20 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 M END $$$$