REMARK  Name = BDB029568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.982  -0.568   0.435  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1        3.749  -0.730  -0.206  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.813  -1.670   0.251  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.521  -1.832  -0.480  0.00  0.00    +0.247 C 
ATOM      5  N   LIG    1        0.556  -2.658   0.101  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        0.681  -3.017   1.509  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        2.095  -3.476   1.845  0.00  0.00    +0.055 C 
ATOM      8  O   LIG    1        1.318  -1.242  -1.538  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        3.093  -2.456   1.377  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        4.324  -2.311   2.020  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        5.249  -1.372   1.557  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        5.949   0.387   0.048  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        6.836   0.237   0.511  0.00  0.00    +0.154 HD
BRANCH  12  17
ATOM     14  C   LIG    1        4.391   3.578  -3.131  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        5.295   2.870  -2.257  0.00  0.00    -0.273 N 
ATOM     16  N   LIG    1        4.833   1.846  -1.527  0.00  0.00    -0.156 NA
ATOM     17  C   LIG    1        5.891   1.406  -0.843  0.00  0.00    +0.145 A 
ATOM     18  C   LIG    1        7.037   2.187  -1.146  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        6.618   3.122  -2.064  0.00  0.00    +0.110 A 
ENDBRANCH  12  17
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -0.770  -2.751  -0.526  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.627  -1.476  -0.333  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.284  -0.501  -1.327  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.317  -0.569  -1.492  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.131  -1.827  -0.464  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.135  -0.836  -0.034  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.092   0.403  -0.829  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.159   1.399  -0.410  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -5.713   1.355   0.882  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -6.670   2.306   1.261  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.055   3.310   0.372  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.491   3.369  -0.900  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.329   0.246   1.830  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.545   2.421  -1.289  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.063  -0.509   1.392  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7