REMARK  Name = BDB042553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.823   0.193  -0.637  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.753   1.190  -2.160  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1       -0.568   0.538  -1.134  0.00  0.00    +0.216 C 
ATOM      4  N   LIG    1       -1.614   0.080  -0.364  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -2.998   0.317  -0.751  0.00  0.00    +0.116 C 
ATOM      6  C   LIG    1       -3.816  -0.607   0.161  0.00  0.00    +0.038 C 
ATOM      7  C   LIG    1       -2.946  -0.681   1.424  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -1.532  -0.703   0.859  0.00  0.00    +0.108 C 
BRANCH   6   9
ATOM      9  C   LIG    1       -5.240  -0.172   0.405  0.00  0.00    -0.043 A 
ATOM     10  C   LIG    1       -5.548   1.077   0.971  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -6.875   1.454   1.187  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -7.900   0.584   0.840  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -9.173   0.946   1.049  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.623  -0.656   0.281  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -6.296  -1.034   0.064  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        1.903   0.677  -1.606  0.00  0.00    +0.062 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.289   0.354  -1.105  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1        3.691  -0.961  -1.179  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        3.071  -1.661  -1.570  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        4.919  -1.437  -0.776  0.00  0.00    +0.257 A 
ATOM     21  O   LIG    1        5.213  -2.623  -0.862  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        5.864  -0.434  -0.228  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.460   0.909  -0.159  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1        6.345   1.864   0.354  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        7.614   1.474   0.790  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        7.994   0.136   0.713  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1        9.212  -0.225   1.135  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.132  -0.827   0.207  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        4.123   1.289  -0.623  0.00  0.00    +0.030 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4