REMARK  Name = BDB050148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.639   0.181  -1.224  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1        0.328   0.266  -0.345  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        1.572   0.433  -0.883  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1        1.897   0.525  -2.225  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        3.192   0.680  -2.409  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        3.725   0.695  -1.146  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        0.836   0.450  -3.149  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        2.755   0.535  -0.175  0.00  0.00    +0.095 A 
ATOM      9  C   LIG    1       -0.413   0.284  -2.698  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.862   0.480   1.283  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        3.647  -0.497   1.937  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.671  -0.514   3.340  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        3.000   0.457   4.087  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        2.265   1.439   3.434  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1        1.437   2.638   4.348  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        2.190   1.452   2.043  0.00  0.00    +0.032 A 
BRANCH  11  17
ATOM     17  N   LIG    1        4.217  -1.587   1.257  0.00  0.00    -0.357 N 
ATOM     18  H   LIG    1        4.395  -1.426   0.271  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.003  -2.014   1.734  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -1.881  -0.003  -0.674  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.815  -0.121   0.333  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  CA  LIG    1       -3.033  -0.632  -1.318  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.361  -1.064   0.864  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.663  -1.658  -0.354  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -4.045   0.442  -1.765  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -3.589   1.117  -2.937  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -4.175   1.884  -3.071  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7