REMARK  Name = BDB043105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.067   0.457   1.263  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.852  -0.059   0.468  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.788   0.060  -0.761  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.832  -0.639   1.187  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        0.753  -0.800   2.638  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.573  -1.549   2.854  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -0.760  -2.326   1.549  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -2.180  -2.839   1.321  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1       -2.872  -2.199   0.116  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1       -2.748  -0.746   0.214  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1       -1.346  -0.321   0.017  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        0.741   0.529   3.398  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        2.099   1.220   3.487  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.267  -1.322   0.504  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1        2.685   1.645   2.143  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        5.102   0.002  -0.059  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1        4.078   0.865   0.285  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1        3.729   1.451  -0.465  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        5.350  -1.030   0.564  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1        5.891   0.426  -1.320  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1        5.292  -0.317  -2.513  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1        8.172   0.418  -2.225  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        7.321   0.156  -1.080  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1        7.418  -0.816  -0.774  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1       -3.631  -0.023  -0.720  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.114  -0.078  -0.311  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.972   0.774  -1.218  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -6.490   0.244  -2.410  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -7.267   1.037  -3.255  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -7.523   2.359  -2.911  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1       -8.269   3.119  -3.723  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.015   2.904  -1.738  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -6.237   2.113  -0.891  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6