REMARK  Name = BDB052312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.630  -0.562  -0.167  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.330  -0.012  -0.194  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -1.157   1.387  -0.476  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.183   1.650  -0.423  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        0.800   0.443  -0.174  0.00  0.00    -0.237 N 
ATOM      6  C   LIG    1       -2.142   2.332  -0.735  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.426   1.754  -0.708  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.120  -0.541   0.048  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1       -3.666   0.371  -0.439  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.192   0.129  -0.062  0.00  0.00    +0.084 A 
ATOM     11  C   LIG    1        3.243   0.941  -0.518  0.00  0.00    +0.066 A 
ATOM     12 CL   LIG    1        3.074   2.390  -1.447  0.00  0.00    -0.081 Cl
ATOM     13  C   LIG    1        4.576   0.541  -0.309  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        4.878  -0.661   0.328  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        3.848  -1.487   0.754  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.521  -1.100   0.557  0.00  0.00    +0.029 A 
ENDBRANCH   5  10
BRANCH   1  20
ATOM     17  N   LIG    1       -4.038  -2.270   0.793  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -4.514  -1.567   1.341  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -4.138  -3.235   1.085  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -2.891  -1.986   0.099  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -2.149  -2.885  -0.268  0.00  0.00    -0.270 OA
ENDBRANCH   1  20
TORSDOF 2