REMARK  Name = BDB057685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.052  -0.175  -0.715  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1       -0.578   0.109  -0.706  0.00  0.00    -0.282 NA
ATOM      3  C   LIG    1       -0.198   1.270  -1.563  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -0.866   2.604  -1.132  0.00  0.00    +0.070 C 
ATOM      5  C   LIG    1       -2.309   2.349  -0.974  0.00  0.00    +0.042 A 
ATOM      6  N   LIG    1       -3.351   3.223  -0.995  0.00  0.00    -0.348 N 
ATOM      7  H   LIG    1       -3.308   4.227  -1.102  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -4.492   2.473  -0.866  0.00  0.00    +0.197 A 
ATOM      9  N   LIG    1       -4.227   1.186  -0.760  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -2.855   1.102  -0.785  0.00  0.00    +0.085 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -1.311   0.243   2.525  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -2.107  -0.810   1.856  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -2.415  -0.957   0.513  0.00  0.00    +0.062 A 
ATOM     14  N   LIG    1       -3.261  -2.039   0.471  0.00  0.00    -0.346 N 
ATOM     15  H   LIG    1       -3.744  -2.389  -0.344  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -3.362  -2.540   1.736  0.00  0.00    +0.197 A 
ATOM     17  N   LIG    1       -2.664  -1.832   2.591  0.00  0.00    -0.241 NA
ENDBRANCH   1  13
BRANCH   2  18
ATOM     18  C   LIG    1        0.156  -1.097  -1.143  0.00  0.00    +0.159 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.606  -1.032  -0.781  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1        2.022  -1.066   0.527  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1        1.411  -1.125   1.329  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        3.389  -0.983   0.546  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1        3.744  -0.901  -0.795  0.00  0.00    +0.089 A 
ATOM     24  C   LIG    1        5.100  -0.803  -1.139  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        6.055  -0.789  -0.114  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.666  -0.872   1.226  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.318  -0.971   1.589  0.00  0.00    +0.028 A 
ATOM     28  N   LIG    1        2.633  -0.932  -1.603  0.00  0.00    -0.231 NA
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 3