REMARK  Name = BDB013965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.677  -1.239  -0.784  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.792  -0.782   0.371  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.241   0.036   1.188  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.485  -1.327   0.496  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.075  -2.354  -0.332  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.372  -3.360  -1.033  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.108  -4.309  -1.797  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.494  -4.287  -1.886  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.189  -3.310  -1.206  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.116  -3.638  -1.065  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.490  -2.369  -0.445  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.087  -2.656  -0.449  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.822   0.763  -1.642  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.846  -0.358  -0.831  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.316  -0.233   0.058  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.956   0.957  -2.495  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.955   1.777  -1.357  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.388   2.859  -0.440  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.477   3.303  -2.530  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.464   2.270  -2.650  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        3.671   2.608  -3.201  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.290  -0.755   1.594  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.068   0.520   1.282  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -2.964   1.067   2.253  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.694   2.244   1.958  0.00  0.00    +0.071 A 
ATOM     26  N   LIG    1       -4.561   2.809   2.816  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -4.738   2.232   4.021  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -4.079   1.090   4.423  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -3.514   2.854   0.729  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -2.634   2.343  -0.222  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.187   0.506   3.530  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -1.915   1.186   0.053  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5