REMARK  Name = BDB051183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096  -0.433   0.365  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -1.149  -1.170   0.746  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.106  -1.435  -0.156  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.988  -0.988  -1.458  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -0.875  -0.242  -1.788  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        0.055   0.051  -0.870  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.226  -2.213   0.209  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -3.091  -2.833   1.547  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -4.303  -3.746   1.842  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -5.592  -3.025   1.744  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -6.710  -3.934   1.984  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -5.699  -2.405   0.406  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -4.505  -1.477   0.076  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        0.832  -0.173   1.371  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        0.513  -0.604   2.226  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        4.661   1.627   1.526  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        3.972   1.289   2.705  0.00  0.00    +0.163 A 
ATOM     18  C   LIG    1        2.710   0.683   2.619  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        2.111   0.395   1.380  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.808   0.754   0.225  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.069   1.357   0.292  0.00  0.00    +0.051 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.623   2.538   0.515  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.891   2.214   1.688  0.00  0.00    -0.491 OA
ENDBRANCH  16  23
BRANCH  17  24
ATOM     24  O   LIG    1        4.612   1.590   3.883  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        3.939   1.287   5.096  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   5  26
ATOM     26  N   LIG    1       -0.773   0.249  -3.108  0.00  0.00    -0.283 N 
ATOM     27  H   LIG    1       -1.062  -0.444  -3.787  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        0.080   1.163  -3.616  0.00  0.00    +0.146 A 
ATOM     29  N   LIG    1        0.371   1.219  -4.919  0.00  0.00    -0.158 NA
ATOM     30  N   LIG    1        1.224   2.249  -5.024  0.00  0.00    -0.280 N 
ATOM     31  H   LIG    1        1.592   2.474  -5.942  0.00  0.00    +0.189 HD
ATOM     32  C   LIG    1        1.480   2.876  -3.838  0.00  0.00    +0.035 A 
ATOM     33  C   LIG    1        2.385   4.039  -3.727  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1        0.736   2.192  -2.902  0.00  0.00    +0.068 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 7