REMARK  Name = BDB020562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.074  -0.461  -1.506  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.190  -0.462  -0.849  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.289  -1.078  -1.474  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.508  -1.134  -0.915  0.00  0.00    -0.246 NA
ATOM      5  C   LIG    1        3.722  -0.553   0.294  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1        2.711   0.067   1.016  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        2.119  -1.659  -2.723  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.891  -1.643  -3.382  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.441   0.111   0.417  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -0.204  -1.042  -2.775  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.637  -0.044   1.879  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.584   0.247   0.383  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.224   0.485  -0.061  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.439  -0.490  -0.615  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.247   0.143  -0.900  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.296   1.460  -0.503  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -2.955  -1.863  -0.750  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -4.382  -1.805  -1.041  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -4.967  -2.981  -1.661  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -2.507   1.645  -0.023  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -5.227  -0.909  -0.388  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -6.454  -1.036  -0.393  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.005   3.011   0.524  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -2.543   4.275  -0.153  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.966   3.823  -0.305  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        5.097  -0.675   0.738  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.888   0.330   1.254  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.112  -0.229   1.486  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.271   0.424   2.045  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.193  -1.520   1.118  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.973  -1.780   0.639  0.00  0.00    +0.144 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.904   0.675   2.370  0.00  0.00    +0.374 C 
ATOM     33  F   LIG    1        3.530   1.884   2.332  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        3.620  -0.102   3.230  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4