REMARK  Name = BDB058288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.527   3.549   1.526  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -1.031   2.458   1.259  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1       -1.557   1.485   0.430  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -0.945   0.685   0.295  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.764   1.505  -0.315  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.095   0.390  -1.153  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -4.301   0.440  -1.904  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -4.665  -0.626  -2.744  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.863  -1.758  -2.862  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.685  -1.838  -2.136  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.142   1.555  -1.811  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.816   2.624  -0.987  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.309  -0.785  -1.297  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.638   2.598  -0.246  0.00  0.00    +0.024 A 
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1        0.273   2.036   1.919  0.00  0.00    +0.111 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.323   1.534   0.922  0.00  0.00    +0.094 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.009   0.186   0.398  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1        1.374  -0.891   1.348  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1        2.852  -1.210   1.429  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.727  -0.870   0.382  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1        5.084  -1.208   0.470  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        5.567  -1.901   1.580  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.700  -2.256   2.611  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.224  -0.087  -0.804  0.00  0.00    +0.051 C 
ATOM     25  C   LIG    1        3.349  -1.916   2.535  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        1.691  -0.070  -0.888  0.00  0.00    +0.089 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 4