REMARK  Name = BDB053192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.029  -0.234  -0.665  0.00  0.00    +0.183 A 
ATOM      2  N   LIG    1       -1.342  -1.431  -0.778  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -1.985  -2.376  -0.008  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -3.064  -1.694   0.539  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -3.952  -2.367   1.391  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -3.721  -3.719   1.672  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.628  -4.385   1.116  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.734  -3.728   0.263  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -3.079  -0.388   0.126  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -1.649   1.038  -1.267  0.00  0.00    +0.228 C 
ATOM     11  O   LIG    1       -0.527   1.244  -1.733  0.00  0.00    -0.283 OA
BRANCH  10  16
ATOM     12  C   LIG    1       -5.307   5.548  -1.573  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.373   4.375  -1.518  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -2.989   4.572  -1.455  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -2.123   3.479  -1.371  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -2.626   2.170  -1.329  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -4.010   1.974  -1.393  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -4.876   3.070  -1.476  0.00  0.00    +0.004 A 
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -0.170  -1.685  -1.604  0.00  0.00    +0.151 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.106  -1.448  -0.850  0.00  0.00    -0.005 C 
ATOM     21  C   LIG    1        2.013  -2.402  -0.585  0.00  0.00    +0.005 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.262  -2.156   0.148  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        3.314  -1.313   1.265  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        4.521  -1.120   1.939  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1        5.671  -1.798   1.551  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.625  -2.652   0.452  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.426  -2.831  -0.245  0.00  0.00    +0.008 A 
BRANCH  24  28
ATOM     28  O   LIG    1        4.564  -0.308   3.040  0.00  0.00    -0.481 OA
BRANCH  28  29
ATOM     29  C   LIG    1        4.725   1.056   2.663  0.00  0.00    +0.349 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.176   1.534   2.611  0.00  0.00    +0.343 C 
ATOM     31  O   LIG    1        7.159   0.870   2.905  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        6.287   2.825   2.203  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        5.438   3.258   1.993  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9