REMARK  Name = BDB054105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.547  -0.214   0.240  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.872  -0.004   1.426  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.421  -0.105   2.271  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.161   0.220  -0.845  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.296   0.880   1.492  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        1.473   0.334   0.634  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        2.782   0.777   1.143  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        3.047   0.225   2.481  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        1.791   0.073   3.351  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.721   1.085   2.958  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        3.854   0.457   0.182  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.209   1.084   0.552  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.254   0.819  -0.508  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        6.434   1.722  -1.567  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        7.386   1.468  -2.555  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        8.153   0.312  -2.486  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        9.067   0.069  -3.435  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        7.986  -0.597  -1.449  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        7.035  -0.346  -0.459  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.820  -1.086   0.365  0.00  0.00    +0.164 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.679   0.410  -0.259  0.00  0.00    +0.230 C 
ATOM     22  N   LIG    1       -3.757  -0.551  -0.625  0.00  0.00    -0.302 N 
ATOM     23  H   LIG    1       -3.376  -0.477  -1.562  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1       -4.928   0.666   0.920  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1       -5.446   1.071  -1.437  0.00  0.00    +0.137 C 
ATOM     26  C   LIG    1       -4.499   1.763  -2.412  0.00  0.00    +0.034 C 
BRANCH  25  28
ATOM     27  C   LIG    1       -7.653   2.084  -1.591  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -6.378   2.082  -0.889  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1       -6.535   1.859   0.100  0.00  0.00    +0.122 HD
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH  20  22
BRANCH  20  30
ATOM     30  C   LIG    1       -2.547  -2.609   0.165  0.00  0.00    -0.011 C 
ATOM     31  C   LIG    1       -3.878  -3.382   0.294  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -1.934  -2.924  -1.213  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -1.593  -3.135   1.256  0.00  0.00    +0.013 C 
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 9