REMARK  Name = BDB013997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.854  -0.518  -0.465  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.282   0.526  -0.422  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.044   1.690  -0.080  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.557   0.107  -0.823  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.901  -1.262  -1.052  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.436  -2.280  -0.193  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.776  -3.618  -0.450  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.581  -3.950  -1.536  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.058  -2.949  -2.375  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.634  -1.954   1.041  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.723  -1.615  -2.133  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.778  -1.493   0.710  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.326  -0.397  -0.819  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.131   0.187  -0.470  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.179   1.106  -0.030  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.411  -1.552  -1.225  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.530   0.573  -0.708  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.842  -0.208  -0.715  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.209   2.580   0.510  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.362   1.397   0.514  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.576   0.824   1.331  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.585   1.148  -0.971  0.00  0.00    +0.150 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.211   1.564   0.348  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1       -3.244   2.898   0.790  0.00  0.00    +0.046 A 
ATOM     25 CL   LIG    1       -2.595   4.204  -0.138  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -3.841   3.229   2.013  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.427   2.244   2.804  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.426   0.923   2.372  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.830   0.588   1.154  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5