MMs01338243 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 47 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 1.4999 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0216 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7608 -1.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 -3.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 -4.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 -5.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 -6.3023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0431 -5.1960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4568 -5.2084 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6568 -5.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 -3.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -6.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 -7.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 -9.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6744 -9.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 -7.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 -6.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9351 -7.8438 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6743 -9.1490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6958 -6.5510 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7265 -6.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0192 -5.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3245 -6.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3369 -7.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0442 -8.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 -7.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6421 -8.6376 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5914 1.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4391 -1.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 -1.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 -3.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 -7.7965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 -10.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2657 -10.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3046 -5.4919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0093 -4.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3587 -5.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0541 -9.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7047 -8.5286 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 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 35 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 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 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END