REMARK  Name = BDB050079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.725  -0.128   0.816  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.424   0.018   0.791  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.070   0.853   1.766  0.00  0.00    -0.210 N 
ATOM      4  C   LIG    1       -0.654   1.527   2.734  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.118   2.257   3.509  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.388   2.052   3.032  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -2.048   1.330   2.747  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.399   1.187   1.954  0.00  0.00    +0.109 A 
ATOM      9  C   LIG    1       -2.605   0.529   1.832  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.499   0.710   1.170  0.00  0.00    +0.068 A 
ATOM     11  N   LIG    1        2.343  -0.176   0.131  0.00  0.00    -0.353 N 
ATOM     12  H   LIG    1        1.447  -0.553  -0.153  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        3.554  -0.469  -0.450  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        4.522   0.257   0.242  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        5.868   0.140  -0.153  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        6.196  -0.697  -1.226  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.207  -1.411  -1.899  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.863  -1.311  -1.525  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        3.847   0.993   1.258  0.00  0.00    +0.037 A 
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.224  -0.950  -0.164  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.492  -1.249  -0.803  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  CA  LIG    1       -3.543  -0.874  -0.779  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.235   1.476  -1.749  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -3.503   0.006  -2.042  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -4.002  -2.306  -1.132  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -5.354  -2.329  -1.581  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -5.925  -2.208  -0.803  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6