REMARK  Name = BDB016599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.826   0.572   1.055  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1        0.407  -0.647   0.339  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -1.028  -0.496  -0.227  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1       -1.088   0.668  -1.231  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1        0.117   1.605  -1.132  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        0.574   1.816   0.311  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.940  -0.257   0.896  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1       -1.512   0.340   1.612  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -3.329  -0.206   0.892  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -4.104   0.395   1.808  0.00  0.00    +0.129 A 
ATOM     11 CL   LIG    1       -3.395   1.227   3.156  0.00  0.00    -0.076 Cl
ATOM     12  C   LIG    1       -5.593   0.399   1.721  0.00  0.00    +0.287 A 
ATOM     13  O   LIG    1       -6.281   0.930   2.592  0.00  0.00    -0.265 OA
ATOM     14  N   LIG    1       -6.130  -0.224   0.599  0.00  0.00    -0.231 N 
ATOM     15  C   LIG    1       -7.569  -0.301   0.430  0.00  0.00    +0.176 C 
ATOM     16  N   LIG    1       -5.382  -0.894  -0.336  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -4.099  -0.877  -0.186  0.00  0.00    +0.157 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        2.197   0.485   1.584  0.00  0.00    +0.158 C 
BRANCH  18  25
ATOM     19  C   LIG    1        5.163   0.988  -2.372  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1        4.601   0.407  -1.132  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        4.990  -0.725  -0.444  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        6.060  -1.719  -0.680  0.00  0.00    +0.065 C 
ATOM     23  N   LIG    1        4.139  -0.794   0.629  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        4.143  -1.503   1.350  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        3.271   0.267   0.558  0.00  0.00    +0.122 A 
ATOM     26  N   LIG    1        3.538   1.008  -0.500  0.00  0.00    -0.236 NA
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 4