REMARK  Name = BDB012649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.405   0.517   0.079  0.00  0.00    -0.305 N 
ATOM      2  C   LIG    1        0.329  -0.342   0.073  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -0.803   0.445   0.074  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.458   1.775   0.081  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.858   1.784   0.084  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.176  -0.046   0.068  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1       -2.340  -1.400   0.062  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1       -3.597  -1.924   0.057  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1       -4.705  -1.078   0.058  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -4.498   0.294   0.065  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -5.765   0.800   0.064  0.00  0.00    -0.257 N 
ATOM     12  H   LIG    1       -6.071   1.766   0.067  0.00  0.00    +0.191 HD
ATOM     13  N   LIG    1       -6.691  -0.173   0.057  0.00  0.00    -0.067 NA
ATOM     14  N   LIG    1       -6.049  -1.336   0.054  0.00  0.00    -0.128 NA
ATOM     15  C   LIG    1       -3.231   0.868   0.070  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16 CL   LIG    1        6.331   2.044   0.098  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        5.128   0.812   0.089  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        3.777   1.167   0.088  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.789   0.170   0.081  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.185  -1.177   0.076  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.541  -1.520   0.078  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        5.515  -0.525   0.084  0.00  0.00    +0.020 A 
ENDBRANCH   1  19
TORSDOF 2