REMARK  Name = BDB028507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.150   3.720  -0.639  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.107   2.536  -0.958  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -3.228   1.758  -1.103  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.284   0.316  -1.303  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1       -4.748  -0.086  -1.070  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -5.502   1.225  -1.340  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -4.547   2.303  -0.848  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1       -0.928   1.875  -1.179  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -0.971   1.137  -1.867  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -4.959  -0.668   0.315  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -5.485   0.124   1.279  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1       -5.651  -0.408   2.510  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -5.317  -1.710   2.838  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.781  -2.516   1.843  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -4.597  -1.992   0.566  0.00  0.00    +0.023 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.332   2.596  -1.177  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.530   1.644  -1.110  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.434   0.674  -2.168  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        2.002  -0.067  -1.869  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        1.617   0.905   0.245  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.674  -0.138   0.235  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        4.026   0.465   0.239  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.143  -0.540   0.432  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.893  -1.801   0.998  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        5.950  -2.701   1.191  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.253  -2.341   0.850  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.508  -1.084   0.307  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.482  -2.206   1.334  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.460  -0.186   0.102  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        2.532  -1.005   1.421  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 6