REMARK  Name = BDB050012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.653   0.116   0.093  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.043  -1.065  -0.172  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.442  -1.129  -0.058  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -2.153   0.029   0.336  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.554  -0.081   0.437  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -4.212  -1.295   0.156  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -3.492  -2.417  -0.230  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.477   1.180   0.596  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1       -2.111  -2.333  -0.336  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.125   1.199   0.474  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.928   0.372  -0.242  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.342  -0.631   0.533  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        2.949  -0.713   0.641  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.114   0.204  -0.022  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        2.721   1.207  -0.798  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.114   1.291  -0.909  0.00  0.00    +0.019 A 
BRANCH  11  18
ATOM     17  N   LIG    1        7.509   0.525  -0.446  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        6.354   0.457  -0.355  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   5  19
ATOM     19  C   LIG    1       -4.433   1.059   0.843  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -5.651   0.935   0.920  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -3.849   2.256   1.130  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -2.839   2.367   1.070  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -4.427   3.035   1.407  0.00  0.00    +0.145 HD
ENDBRANCH   5  19
TORSDOF 3