REMARK  Name = BDB022038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.108  -0.567   1.703  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.476  -1.736   0.771  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -1.967  -2.048   0.782  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -2.763  -0.880   0.424  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.024  -1.100  -0.130  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -4.524  -2.216  -0.252  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.297   0.426   0.902  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.330   0.289   2.074  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.816   0.059  -0.602  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -6.134   0.191  -0.162  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -6.892   1.262  -0.617  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -8.153   1.406  -0.190  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.364   2.190  -1.510  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -5.055   2.043  -1.970  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.280   0.971  -1.521  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1        2.192  -0.403   0.957  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        2.213  -1.344   1.330  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        0.992   0.283   1.056  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        0.778   1.430   0.677  0.00  0.00    -0.275 OA
BRANCH  16  22
ATOM     20  C   LIG    1        5.737  -0.461  -0.101  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        4.492  -0.826   0.425  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        3.405   0.058   0.405  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.581   1.323  -0.154  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.821   1.695  -0.681  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.898   0.807  -0.655  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.984  -1.107  -0.532  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.700  -1.428  -0.009  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4