REMARK  Name = BDB000981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.333  -0.905   0.427  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.073   0.122  -0.095  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.713   0.891  -0.649  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.382  -0.067   0.269  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.362  -1.242   1.009  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.563  -1.739   1.536  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.749  -1.037   1.291  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.742   0.147   0.544  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.546   0.671   0.022  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        1.088  -1.748   1.102  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  12
ATOM     11  N   LIG    1       -1.840   0.282   0.003  0.00  0.00    -0.288 NA
ATOM     12  C   LIG    1       -1.236  -1.066   0.223  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -1.510  -2.154  -0.803  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.992  -1.145   1.575  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.172   0.377   1.441  0.00  0.00    +0.088 C 
BRANCH  11  17
ATOM     16  C   LIG    1       -3.207   1.872  -1.198  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -3.003   0.378  -0.895  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.352  -0.225  -0.474  0.00  0.00    +0.024 C 
ENDBRANCH  11  17
ENDBRANCH   1  12
BRANCH   9  19
ATOM     19  C   LIG    1        3.466   1.922  -0.773  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        2.461   2.208  -1.414  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        4.535   2.773  -0.737  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        5.250   2.718  -0.027  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        4.401   3.669  -1.189  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3