MMs02449461 MOE2007 2D CORINA 3.40 0006 02.08.2006 62 63 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 0.7492 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0016 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2492 -1.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 1.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 2.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 3.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2492 -1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4984 -2.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7492 -1.3032 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1492 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7492 -1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2492 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2508 1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7508 1.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -0.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2492 -1.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4984 -2.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2476 -3.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7476 -3.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4984 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7492 -1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 -0.0103 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.7508 1.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0000 -0.0112 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.4968 -5.2064 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.9968 -5.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7460 -6.5050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4984 -2.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7476 -3.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 -5.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 0.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 -0.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4508 -1.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -1.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -3.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -3.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 -2.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3766 -1.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 4.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 4.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2128 3.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1006 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 1.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1485 -2.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8485 -2.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8515 2.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1515 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2984 -2.6057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6469 -4.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6984 -2.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6984 -2.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5476 -3.9006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 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 16 1 0 0 0 0 14 36 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 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 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 27 33 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 36 37 1 0 0 0 0 36 61 1 0 0 0 0 37 38 2 0 0 0 0 37 62 1 0 0 0 0 M CHG 1 30 1 M CHG 1 32 -1 M CHG 1 33 1 M CHG 1 35 -1 M END