REMARK  Name = BDB013959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.588  -0.056   0.284  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.079   0.917  -0.683  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.564   1.905  -1.068  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.389   0.676  -1.093  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -2.153  -0.522  -0.833  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.085  -1.302   0.341  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.909  -2.455   0.450  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.778  -2.849  -0.560  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.848  -2.095  -1.713  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.275  -1.047   1.593  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.050  -0.955  -1.842  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -0.204   0.020   1.576  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.928  -0.430   1.032  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        1.968   0.386   0.485  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.203   1.298   0.104  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.652  -1.548   1.468  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.346   0.193   1.135  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.829   0.800  -0.181  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.740  -1.814   0.772  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.303  -0.786   1.712  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.809  -1.261   2.474  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.011   1.755  -1.883  0.00  0.00    +0.189 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.157   2.340  -1.143  0.00  0.00    +0.143 A 
ATOM     24  O   LIG    1       -2.885   3.059  -0.009  0.00  0.00    -0.446 OA
ATOM     25  C   LIG    1       -4.111   3.457   0.426  0.00  0.00    +0.308 A 
ATOM     26  N   LIG    1       -5.121   3.069  -0.319  0.00  0.00    -0.224 NA
ATOM     27  C   LIG    1       -4.521   2.351  -1.322  0.00  0.00    +0.157 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5