MMs00949728 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 58 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 -1.5000 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5032 2.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2484 1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 2.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 3.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4968 2.6036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2484 1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7484 1.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 2.6072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 3.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 3.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9968 2.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7452 3.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 3.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9968 2.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2484 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7484 1.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4968 2.6146 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 1.2945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 -1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7516 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2184 0.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3734 -0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0023 -1.1233 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0032 2.5907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6044 3.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5032 2.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7548 3.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6013 -1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 -1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 3.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0415 0.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3765 0.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 0.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4582 0.1239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5415 0.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8765 0.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8724 4.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 5.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 4.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 5.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1440 4.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8440 4.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8497 0.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1497 0.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1112 1.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4119 -1.1161 0.0000 H 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 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 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 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 51 1 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 M END