MMs01857353 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 49 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 0.7447 -1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 -1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2446 -1.3205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2553 1.2775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6508 2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 3.6495 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7304 4.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0656 2.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7477 1.4282 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9068 1.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7468 0.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2774 -1.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2153 0.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2144 -0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6829 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1523 1.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 -1.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2127 -2.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2118 -3.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6803 -3.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1496 -2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1505 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6794 -4.6730 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6189 5.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 1.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 -1.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0474 -1.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6149 -3.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 -3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 -2.4891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 -1.7233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 2.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 3.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 3.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2053 2.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1942 -1.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6594 -1.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0379 -2.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 -4.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3244 -1.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 0.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5926 5.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 28 48 1 0 0 0 0 M END