REMARK  Name = BDB052304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.644   0.108   0.500  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.432  -0.089  -0.197  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        4.438  -0.116  -1.637  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        3.152  -0.322  -2.047  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        2.404  -0.416  -0.892  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        5.529   0.034  -2.487  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.721   0.230  -1.762  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        3.175  -0.304   0.223  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.782   0.267  -0.335  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.998  -0.623  -0.780  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        0.189  -0.766  -1.915  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.190  -0.968  -1.775  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.781  -1.026  -0.506  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -0.966  -0.885   0.625  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        0.411  -0.683   0.492  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.270  -1.262  -0.356  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.955  -0.226   0.438  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -3.982   1.066  -0.268  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -4.657   2.146   0.580  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -6.062   1.730   0.997  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -6.034   0.356   1.655  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -5.317  -0.667   0.774  0.00  0.00    +0.085 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  26
ATOM     23  N   LIG    1        6.834  -0.402   2.533  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        7.393  -1.077   2.030  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        6.811  -0.476   3.542  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.725   0.171   1.967  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        4.875   0.704   2.663  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 4