REMARK  Name = BDB026789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.171  -0.913   0.051  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.677   0.428   0.501  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1        0.834   0.475   0.918  0.00  0.00    +0.132 C 
ATOM      4  N   LIG    1        1.098  -0.663   1.775  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        0.733  -1.982   1.343  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        0.818  -2.788   2.631  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.915  -2.082   3.428  0.00  0.00    +0.098 C 
ATOM      8  C   LIG    1        1.824  -0.656   2.944  0.00  0.00    +0.217 C 
ATOM      9  O   LIG    1        2.321   0.318   3.483  0.00  0.00    -0.276 OA
ATOM     10  C   LIG    1       -0.643  -2.078   0.657  0.00  0.00    +0.237 C 
ATOM     11  O   LIG    1       -1.179  -3.183   0.556  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -1.029   1.618  -0.393  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -1.416   2.832   0.204  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.712   3.953  -0.577  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.621   3.874  -1.964  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -1.985   5.253  -2.925  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -1.236   2.685  -2.575  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.940   1.564  -1.794  0.00  0.00    +0.007 A 
ENDBRANCH   2  12
BRANCH   3  19
ATOM     19  C   LIG    1        1.897   0.556  -0.174  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1        1.867  -0.235  -1.333  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.876  -0.129  -2.293  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        2.800  -1.098  -3.714  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        3.939   0.749  -2.111  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        3.998   1.525  -0.957  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.990   1.425   0.005  0.00  0.00    +0.005 A 
ENDBRANCH   3  19
BRANCH   1  27
ATOM     26  C   LIG    1       -2.686  -1.945  -1.666  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -2.562  -0.999  -0.467  0.00  0.00    +0.071 C 
ATOM     28  C   LIG    1       -3.587  -1.326   0.623  0.00  0.00    +0.028 C 
ENDBRANCH   1  27
TORSDOF 3