REMARK  Name = BDB031219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.593  -1.309  -0.731  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.257   0.039  -0.552  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.910   0.382  -0.357  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.379   1.615  -0.123  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        0.071   1.447  -0.035  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -0.266   0.093  -0.145  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        0.923  -0.599  -0.376  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.246  -1.958  -0.528  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.593  -2.289  -0.721  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.561  -0.491  -0.011  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.442  -0.018   0.978  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.676  -0.621   1.046  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.053  -1.652   0.189  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.348  -2.033   0.519  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -5.907  -2.751   0.088  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.791  -1.242   1.589  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -6.877  -1.301   2.136  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.217  -2.136  -0.787  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.739  -0.369   1.906  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -4.788   0.320   2.638  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -1.951  -1.542  -0.884  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -0.857   2.577   0.089  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -0.615   3.557   1.054  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -1.497   4.618   1.156  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -2.583   4.766   0.369  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -2.781   3.827  -0.580  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -1.954   2.731  -0.763  0.00  0.00    +0.031 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     28  C   LIG    1        7.371  -1.323  -0.486  0.00  0.00    +0.128 C 
ATOM     29  N   LIG    1        5.985  -0.928  -0.424  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        5.730  -0.222   0.252  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        5.001  -1.744  -0.946  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        5.235  -2.795  -1.532  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 3