REMARK  Name = BDB064453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.688   0.327   0.008  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        1.637  -0.357   1.154  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        0.462  -0.877   1.517  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.698  -0.730   0.755  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -1.907  -1.333   1.197  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.978  -2.061   2.393  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -0.804  -2.182   3.142  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.547   0.023  -0.421  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1        0.390  -1.598   2.701  0.00  0.00    +0.029 A 
ATOM     10  N   LIG    1        0.642   0.526  -0.796  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.239  -2.673   2.840  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -3.305  -4.037   3.170  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.503  -4.620   3.594  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.657  -3.846   3.695  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.614  -2.492   3.373  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.415  -1.912   2.948  0.00  0.00    +0.008 A 
ENDBRANCH   6  11
BRANCH   1  17
ATOM     17  N   LIG    1        2.885   0.884  -0.427  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        2.749   1.067  -1.416  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.065   0.106  -0.088  0.00  0.00    +0.105 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.301   0.772  -0.699  0.00  0.00    +0.034 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.568  -0.017  -0.347  0.00  0.00    +0.085 C 
BRANCH  21  23
ATOM     22  C   LIG    1        8.175   1.821  -0.334  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        7.839   0.504  -0.869  0.00  0.00    -0.308 NA
ATOM     24  C   LIG    1        7.901   0.501  -2.328  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   8  25
ATOM     25  N   LIG    1       -1.671   0.227  -1.256  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.423   0.604  -0.681  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.432   1.097  -2.411  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.704   1.217  -3.264  0.00  0.00    +0.054 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.850   1.890  -2.541  0.00  0.00    -0.046 A 
ATOM     30  C   LIG    1       -4.922   1.132  -2.051  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.968   1.748  -1.363  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.952   3.126  -1.158  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.891   3.889  -1.642  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.844   3.276  -2.330  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 10