REMARK  Name = BDB050390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.833   0.681   0.512  0.00  0.00    +0.214 A 
ATOM      2  N   LIG    1       -1.539   0.381   0.367  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -1.214  -0.729  -0.329  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1       -2.202  -1.524  -0.903  0.00  0.00    +0.099 A 
ATOM      5 CL   LIG    1       -1.863  -2.955  -1.794  0.00  0.00    -0.078 Cl
ATOM      6  C   LIG    1       -3.502  -1.114  -0.713  0.00  0.00    +0.137 A 
ATOM      7  N   LIG    1       -3.842  -0.013  -0.016  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -3.149   1.817   1.224  0.00  0.00    -0.327 N 
ATOM      9  H   LIG    1       -4.047   2.175   0.934  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1       -2.367   2.456   1.228  0.00  0.00    +0.145 HD
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  N   LIG    1        0.147  -1.084  -0.529  0.00  0.00    -0.298 N 
ATOM     12  H   LIG    1        0.251  -2.094  -0.497  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        1.332  -0.408  -0.174  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        1.401   0.973   0.031  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        2.616   1.601   0.330  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.788   0.857   0.408  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.748  -0.514   0.176  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.532  -1.137  -0.122  0.00  0.00    +0.023 A 
ENDBRANCH  11  13
ENDBRANCH   3  11
TORSDOF 3