REMARK  Name = BDB028457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.162   0.965   2.254  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.965   0.402   1.181  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.967   0.143   0.280  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -4.330   0.584   0.542  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -5.018   0.552  -0.828  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -4.268  -0.575  -1.550  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -2.836  -0.387  -1.069  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1       -0.717   0.009   0.779  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -0.685  -0.817   0.200  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -6.517   0.383  -0.789  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -7.124  -0.726  -0.181  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -8.514  -0.857  -0.160  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -9.317   0.117  -0.747  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.731   1.224  -1.355  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.341   1.356  -1.376  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.413   0.157   1.680  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.721  -0.261   0.991  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.585  -1.635   0.581  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        1.615  -2.183   1.385  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.919  -0.072   1.954  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.283  -0.222   1.419  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        4.651   0.869   0.501  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        6.047   0.727  -0.073  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        6.698  -0.519  -0.085  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        7.976  -0.632  -0.649  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        8.594   0.480  -1.220  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.944   1.712  -1.228  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.048  -1.714   0.566  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.675   1.835  -0.659  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.540  -1.519   0.782  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 6