REMARK  Name = BDB042624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304   0.544  -1.022  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.074   1.407  -1.250  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.157   0.788  -1.090  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.380   1.578  -1.262  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.479   1.166  -0.274  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1        3.759  -0.275  -0.283  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        4.835  -0.875   0.364  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        4.995  -2.098   0.341  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        2.770  -1.129  -0.951  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1        1.334  -0.629  -0.742  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1       -0.172   2.593  -1.564  0.00  0.00    -0.276 OA
BRANCH   7  12
ATOM     12  C   LIG    1        5.849   0.049   1.080  0.00  0.00    +0.204 C 
ATOM     13  O   LIG    1        6.559  -0.639   2.124  0.00  0.00    -0.367 OA
ATOM     14  C   LIG    1        7.904  -0.840   1.686  0.00  0.00    +0.161 C 
ATOM     15  C   LIG    1        8.206   0.354   0.817  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1        6.897   0.558   0.092  0.00  0.00    +0.043 C 
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -2.591   1.367  -1.098  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.107   0.677   2.862  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.455  -0.224   1.709  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -5.698  -0.257   0.518  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -6.090  -1.128  -0.520  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -5.300  -1.166  -1.775  0.00  0.00    +0.257 A 
ATOM     23  N   LIG    1       -4.210  -0.330  -1.838  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -3.701  -0.360  -2.715  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.812   0.520  -0.835  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -5.599  -1.904  -2.707  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -7.207  -1.957  -0.391  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -7.939  -1.914   0.783  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -9.012  -2.702   0.922  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.510   0.586   0.310  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.577  -1.064   1.824  0.00  0.00    +0.042 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4