REMARK  Name = BDB022298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.764   5.490   0.873  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.318   4.106   0.882  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        1.122   3.087   0.289  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.688   1.750   0.328  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.550   0.749  -0.169  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.783   1.040  -0.762  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.168   2.377  -0.839  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.646   1.413   0.900  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.320   2.402   1.501  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        2.357   3.386  -0.308  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -0.865   3.806   1.537  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -1.568   4.630   2.120  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        3.608   0.050  -1.335  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        4.598   0.279  -1.263  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.305  -1.275  -1.730  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        4.201  -2.335  -1.509  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        3.796  -3.616  -1.864  0.00  0.00    +0.148 A 
ATOM     18 CL   LIG    1        4.784  -5.011  -1.645  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        2.595  -3.918  -2.410  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        1.755  -2.889  -2.621  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1        2.061  -1.577  -2.302  0.00  0.00    +0.044 A 
BRANCH  16  22
ATOM     22  C   LIG    1        5.486  -2.107  -0.931  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        6.526  -1.864  -0.475  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  N   LIG    1       -1.102   0.111   0.778  0.00  0.00    -0.333 N 
ATOM     25  H   LIG    1       -0.650  -0.450   0.062  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.432  -0.447   1.052  0.00  0.00    +0.141 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.329  -1.985   1.092  0.00  0.00    +0.149 A 
ATOM     28  N   LIG    1       -1.491  -2.583   0.201  0.00  0.00    -0.238 NA
ATOM     29  C   LIG    1       -1.412  -3.925   0.263  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1       -2.130  -4.688   1.153  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -2.957  -3.993   2.003  0.00  0.00    +0.114 A 
ATOM     32  N   LIG    1       -3.080  -2.652   1.995  0.00  0.00    -0.238 NA
ENDBRANCH  26  27
BRANCH  26  33
ATOM     33  C   LIG    1       -3.376  -0.058  -0.067  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -4.296   1.137   0.048  0.00  0.00    +0.006 C 
ATOM     35  C   LIG    1       -4.870  -0.249   0.077  0.00  0.00    +0.006 C 
ENDBRANCH  26  33
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 7