REMARK  Name = BDB031554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.111  -2.662  -0.586  0.00  0.00    +0.201 C 
ATOM      2  C   LIG    1        0.105  -1.913   0.320  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.873  -3.012   0.158  0.00  0.00    -0.291 NA
ATOM      4  C   LIG    1        0.207  -3.892  -0.340  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   5
ATOM      5  O   LIG    1        2.471  -2.793  -0.115  0.00  0.00    -0.485 OA
BRANCH   5   9
ATOM      6  C   LIG    1        5.134   0.328  -0.016  0.00  0.00    +0.126 A 
ATOM      7  N   LIG    1        5.446  -0.846   0.599  0.00  0.00    -0.247 NA
ATOM      8  C   LIG    1        4.512  -1.823   0.519  0.00  0.00    +0.157 A 
ATOM      9  C   LIG    1        3.288  -1.695  -0.133  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.006  -0.483  -0.755  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.942   0.550  -0.696  0.00  0.00    +0.036 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.976   2.509  -0.457  0.00  0.00    -0.269 OA
ATOM     13  C   LIG    1        6.162   1.415   0.065  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1        7.296   1.060   0.769  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        7.306   0.118   1.153  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1        8.403   1.932   0.962  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1        9.675   1.429   1.587  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        9.645   1.781   0.129  0.00  0.00    +0.024 C 
ENDBRANCH  14  16
ENDBRANCH   6  13
ENDBRANCH   5   9
ENDBRANCH   1   5
BRANCH   3  19
ATOM     19  C   LIG    1       -1.841  -2.724  -0.911  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.935  -1.789  -0.456  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1       -3.230  -0.613  -1.154  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -4.263   0.199  -0.701  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1       -4.975  -0.185   0.430  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -6.059   0.667   0.904  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -6.410   1.808   0.277  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -5.603   2.218  -0.941  0.00  0.00    +0.253 A 
ATOM     27  O   LIG    1       -5.835   3.262  -1.544  0.00  0.00    -0.268 OA
ATOM     28  N   LIG    1       -4.724  -1.313   1.125  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1       -4.594   1.387  -1.356  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1       -4.084   1.692  -2.173  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -3.711  -2.087   0.667  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.499   2.687   0.756  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -8.714   2.887  -0.117  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.834   2.105   1.156  0.00  0.00    +0.009 C 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7