REMARK  Name = BDB000963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.277  -2.244  -0.954  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        2.208  -0.894  -0.688  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        1.398  -0.308  -0.842  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.434  -0.479  -0.218  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        4.238  -1.608  -0.337  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        5.606  -1.516  -0.034  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        6.131  -0.287   0.378  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        5.298   0.825   0.521  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.924   0.750   0.244  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        3.502  -2.695  -0.757  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -0.790  -0.986  -1.150  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -0.689  -1.919  -0.001  0.00  0.00    +0.085 C 
ATOM     13  C   LIG    1        0.045  -3.230  -0.331  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1        1.097  -3.052  -1.431  0.00  0.00    +0.057 C 
ATOM     15  C   LIG    1        0.463  -2.450  -2.696  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1       -0.863  -1.727  -2.417  0.00  0.00    +0.085 C 
BRANCH  11  17
ATOM     17  C   LIG    1       -1.965  -0.095  -1.009  0.00  0.00    +0.099 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.776   0.993   0.082  0.00  0.00    +0.099 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.947   1.886   0.259  0.00  0.00    -0.302 NA
BRANCH  19  21
ATOM     20  C   LIG    1       -3.639   4.140   1.132  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -2.575   3.050   1.082  0.00  0.00    +0.081 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -4.152   1.186   0.731  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -4.068   0.515   2.100  0.00  0.00    +0.020 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  24
ATOM     24  C   LIG    1        3.063   1.933   0.470  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        3.499   3.069   0.346  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        1.795   1.679   0.903  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        1.598   0.805   1.365  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        1.300   2.483   1.273  0.00  0.00    +0.145 HD
ENDBRANCH   9  24
TORSDOF 7