REMARK  Name = BDB028574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.514   1.482   2.576  0.00  0.00    -0.226 OA
ATOM      2  C   LIG    1       -0.434   1.118   1.409  0.00  0.00    +0.403 C 
ATOM      3  N   LIG    1       -1.408   0.413   0.763  0.00  0.00    -0.266 N 
ATOM      4  C   LIG    1       -2.811   0.333   1.123  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -3.031  -0.305  -0.262  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -1.668   0.304  -0.663  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.270   0.144  -1.065  0.00  0.00    +0.222 C 
ATOM      8  N   LIG    1       -5.416  -0.620  -0.921  0.00  0.00    -0.291 N 
ATOM      9  C   LIG    1       -6.687  -0.210  -1.505  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.358   0.772  -0.514  0.00  0.00    +0.182 C 
ATOM     11  O   LIG    1       -7.605   0.141   0.764  0.00  0.00    -0.376 OA
ATOM     12  C   LIG    1       -6.430  -0.519   1.282  0.00  0.00    +0.182 C 
ATOM     13  C   LIG    1       -7.449  -1.542  -1.546  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1       -6.840  -2.370  -0.398  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -5.782  -1.448   0.222  0.00  0.00    +0.102 C 
ATOM     16  O   LIG    1       -4.260   1.114  -1.831  0.00  0.00    -0.275 OA
ENDBRANCH   5   7
BRANCH   2  17
ATOM     17  O   LIG    1        0.627   1.354   0.594  0.00  0.00    -0.448 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.711   2.057   1.230  0.00  0.00    +0.266 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.870   2.188   0.234  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.413   2.921  -0.916  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        1.565   2.516  -1.178  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.428   0.826  -0.242  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.909  -0.051   0.841  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.189   0.397   1.421  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.415   0.102   0.582  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.400  -0.919  -0.386  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.559  -1.196  -1.123  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.732  -0.481  -0.886  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.756   0.518   0.084  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.125  -1.669  -0.678  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.605   0.806   0.818  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.050  -1.450   0.397  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7