MMs01084253 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 -0.9922 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 -2.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 -2.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 -1.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4703 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1835 -3.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -4.1348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2428 -5.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6163 -1.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9229 -2.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2142 -1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 -0.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5209 -2.2612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8121 -1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1188 -2.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4101 -1.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3947 0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0880 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7968 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6860 0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6706 2.2919 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3825 1.1374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1685 -0.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3078 -3.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 -4.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -0.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 -0.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7037 -3.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5332 -3.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1311 -3.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4554 -2.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0757 1.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7514 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9926 0.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 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 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 2 0 0 0 0 M CHG 1 23 -1 M END