REMARK  Name = BDB009541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.555  -0.434   0.186  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.350  -1.001   0.596  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -0.346  -2.027   1.524  0.00  0.00    +0.184 A 
ATOM      4  N   LIG    1        0.920  -2.451   1.795  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        1.723  -1.719   1.046  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -1.448  -2.550   2.077  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -2.570  -1.980   1.617  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        0.982  -0.835   0.276  0.00  0.00    -0.315 N 
ATOM      9  N   LIG    1       -2.667  -0.973   0.719  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.177  -1.898   1.003  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        4.065  -0.831   1.196  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.447  -1.040   1.151  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        5.948  -2.320   0.925  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        7.648  -2.575   0.868  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        5.080  -3.395   0.753  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        3.699  -3.184   0.798  0.00  0.00    +0.013 A 
ENDBRANCH   5  10
BRANCH   1  17
ATOM     17  N   LIG    1       -1.623   0.614  -0.717  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -0.885   1.291  -0.565  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.531   1.966   0.145  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -2.888   1.273  -1.053  0.00  0.00    +0.072 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.833   0.342  -1.766  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -4.631   0.816  -2.957  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.509  -0.165  -3.151  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  17
BRANCH   7  24
ATOM     24  C   LIG    1       -3.880  -2.494   2.153  0.00  0.00    +0.375 C 
ATOM     25  O   LIG    1       -4.995  -2.090   1.864  0.00  0.00    -0.242 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.742  -3.506   3.041  0.00  0.00    -0.475 OA
ATOM     27  H   LIG    1       -4.660  -3.730   3.294  0.00  0.00    +0.296 HD
ENDBRANCH  24  26
ENDBRANCH   7  24
BRANCH   8  28
ATOM     28  C   LIG    1        1.498  -0.014  -0.812  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.634   1.460  -0.486  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        1.509   1.995   0.807  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        1.645   3.369   1.029  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        1.914   4.223  -0.037  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        2.081   5.912   0.239  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        2.050   3.714  -1.325  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        1.912   2.341  -1.547  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 8