REMARK  Name = BDB028528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.598  -0.055  -2.935  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.046  -0.037  -1.837  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.686   0.296  -0.664  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -4.051   0.804  -0.758  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -5.072  -0.336  -0.578  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -4.660  -1.293   0.570  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -3.557  -0.704   1.451  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.329  -0.313   0.621  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.730  -0.390  -1.772  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.453  -0.673  -2.706  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.468   0.230  -0.420  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1       -7.357   0.209  -1.494  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -8.615   0.706  -1.453  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -9.012   1.258  -0.289  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -8.209   1.339   0.835  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.919   0.821   0.765  0.00  0.00    +0.007 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.266   0.474  -1.133  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.527  -0.322  -0.766  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.131  -1.380   0.122  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.406  -1.844  -0.338  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.567   0.592  -0.078  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.965   0.110  -0.156  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.867   1.143   0.400  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.313   0.709   0.508  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.656  -0.652   0.532  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.998  -1.031   0.668  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.993  -0.064   0.807  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.655   1.287   0.803  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.589  -1.697   0.342  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.322   1.673   0.658  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.169  -1.155   0.569  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6