REMARK  Name = BDB010742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.401   2.197  -1.378  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.302   1.803  -1.007  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.112   0.430  -0.521  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.843   0.042  -0.112  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.596  -1.251   0.354  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1       -0.298  -1.595   0.747  0.00  0.00    -0.356 N 
ATOM      7  H   LIG    1       -0.144  -2.542   1.082  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        0.766  -0.713   0.705  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        2.087  -1.336   1.147  0.00  0.00    +0.053 C 
ATOM     10  C   LIG    1        3.424  -0.672   0.788  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1        3.459  -0.105  -0.628  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1        2.832   1.286  -0.742  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        1.724   1.589   0.266  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        0.621   0.565   0.282  0.00  0.00    -0.001 A 
ATOM     15  C   LIG    1       -2.668  -2.156   0.403  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1       -3.950  -1.773  -0.004  0.00  0.00    +0.023 A 
ATOM     17 CL   LIG    1       -2.429  -3.771   0.970  0.00  0.00    -0.081 Cl
ATOM     18  C   LIG    1       -0.744   1.021  -0.177  0.00  0.00    +0.099 A 
ATOM     19  N   LIG    1       -0.931   2.234  -0.615  0.00  0.00    -0.171 NA
ATOM     20  C   LIG    1       -4.175  -0.476  -0.469  0.00  0.00    +0.015 A 
ATOM     21  N   LIG    1       -2.182   2.599  -1.016  0.00  0.00    -0.242 N 
ATOM     22  H   LIG    1       -2.288   3.552  -1.349  0.00  0.00    +0.192 HD
ENDROOT
TORSDOF 0