MMs02594851 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 43 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 0.7487 -1.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 -1.3012 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6487 -0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 -2.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2462 -3.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2487 -1.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2512 1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 1.2925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6341 2.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 3.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 2.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2746 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6443 2.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7997 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1694 0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3838 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2284 2.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8587 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 0.5403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6318 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1669 -1.3480 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 0.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 1.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 -0.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4513 -1.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -1.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -3.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -3.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 1.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4608 2.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1503 4.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8282 0.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2937 -0.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4796 0.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1999 3.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7344 4.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4975 -2.6024 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 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 M CHG 1 42 -1 M END