REMARK  Name = BDB029422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.274  -0.441  -1.796  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.391   0.454  -1.196  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        0.890   0.718  -1.836  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1        2.060   0.346  -0.925  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1        1.828   0.714   0.559  0.00  0.00    -0.004 C 
ATOM      6  C   LIG    1        0.653   1.693   0.702  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -0.620   1.094   0.100  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -1.022  -1.083  -2.812  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  16
ATOM      9  O   LIG    1       -8.067   0.359   0.723  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.941   0.077   0.350  0.00  0.00    +0.222 C 
ATOM     11  N   LIG    1       -6.331  -1.166   0.474  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1       -6.793  -1.961   0.888  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -5.048  -1.152  -0.047  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.755   0.121  -0.538  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.529   0.391  -1.116  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -2.596  -0.655  -1.171  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -2.909  -1.944  -0.690  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -4.154  -2.200  -0.109  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -5.940   1.017  -0.334  0.00  0.00    +0.133 C 
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  C   LIG    1        3.093   1.284   1.227  0.00  0.00    +0.038 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.223   0.287   1.332  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1        5.363   0.413   0.528  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        6.403  -0.513   0.623  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.315  -1.573   1.524  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.187  -1.706   2.331  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.146  -0.781   2.236  0.00  0.00    +0.003 A 
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 3