REMARK  Name = BDB018522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.933  -2.439   0.187  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1        0.500  -2.696  -0.054  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.931  -3.970   0.048  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.095  -5.024   0.374  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.667  -6.359   0.471  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.258  -4.848   0.623  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.047  -5.737   0.926  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.756  -3.455   0.504  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -2.614   1.403  -0.076  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -2.520   0.836   1.135  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -2.001  -0.408   1.191  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -1.565  -1.113   0.088  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -1.719  -0.442  -1.107  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1       -2.238   0.801  -1.212  0.00  0.00    -0.222 NA
BRANCH   9  15
ATOM     15  N   LIG    1       -3.108   2.691  -0.218  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1       -3.339   2.784  -1.202  0.00  0.00    +0.149 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -4.690   4.425   0.389  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -4.175   3.029   0.705  0.00  0.00    +0.101 C 
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        1.418  -1.648  -0.402  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        1.524  -0.402   0.176  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1        2.509   0.291  -0.503  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1        3.093  -0.500  -1.430  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1        2.426  -1.652  -1.381  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        2.894   1.654  -0.331  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1        4.058   2.189  -0.922  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        4.363   3.551  -0.727  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        3.536   4.375   0.035  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        2.390   3.849   0.616  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        2.068   2.501   0.437  0.00  0.00    +0.029 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.015   1.438  -1.693  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        5.855   0.920  -2.306  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 6