REMARK  Name = BDB050391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.816   0.187  -0.566  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.612   0.132  -0.382  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -3.918   0.747   0.654  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -4.371   1.305   1.362  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.561   0.484   0.573  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.302  -0.320  -0.530  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -1.010  -0.724  -0.823  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        0.047  -0.290   0.002  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.257   0.505   1.130  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -1.566   0.910   1.421  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -3.588  -0.621  -1.240  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        1.351  -0.747  -0.284  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        1.417  -1.209  -1.185  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.615  -0.214   0.082  0.00  0.00    +0.145 A 
ATOM     15  C   LIG    1        3.764  -0.945  -0.219  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        3.729  -2.443  -1.066  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        4.967  -0.402   0.180  0.00  0.00    +0.136 A 
ATOM     18  N   LIG    1        5.077   0.772   0.832  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        3.920   1.398   1.081  0.00  0.00    +0.223 A 
ATOM     20  N   LIG    1        2.696   0.962   0.742  0.00  0.00    -0.219 NA
ENDBRANCH  12  14
ENDBRANCH   8  12
TORSDOF 2