REMARK  Name = BDB000958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.481  -0.396   0.135  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        4.146  -0.160   0.487  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        3.728   0.096   1.784  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        2.370   0.296   1.830  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        1.945   0.157   0.589  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        4.674   0.116   2.818  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        6.017  -0.134   2.505  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        2.991  -0.119  -0.255  0.00  0.00    -0.341 N 
ATOM      9  H   LIG    1        2.947  -0.284  -1.253  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        6.414  -0.388   1.187  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        0.526   0.272   0.101  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1       -0.365  -0.729   0.855  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -1.715  -0.961   0.166  0.00  0.00    +0.085 C 
ATOM     14  N   LIG    1       -2.802  -0.015   0.445  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1       -2.389   1.355   0.753  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -1.377   1.988  -0.203  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1        0.069   1.731   0.217  0.00  0.00    +0.012 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -3.882  -0.104  -0.554  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.426  -1.526  -0.766  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.729  -1.315  -1.526  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -6.257   0.040  -1.067  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -5.172   0.640  -0.175  0.00  0.00    +0.019 C 
ENDBRANCH  14  18
ENDBRANCH   5  11
BRANCH   1  26
ATOM     23  N   LIG    1        7.139  -0.637  -1.648  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        7.870  -0.265  -1.060  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        7.333  -0.708  -2.639  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.822  -0.649  -1.288  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        4.945  -0.831  -2.127  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3