REMARK  Name = BDB031259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.307   1.623  -0.031  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.864   0.279   0.199  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.530  -0.123   0.345  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.527  -1.502   0.547  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -1.369  -2.215   0.730  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.172  -1.488   0.701  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.150  -0.085   0.488  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -3.843  -1.949   0.527  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -4.170  -2.894   0.645  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1       -1.361   0.608   0.315  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -4.695  -0.853   0.310  0.00  0.00    +0.327 A 
ATOM     12  O   LIG    1       -5.911  -0.903   0.238  0.00  0.00    -0.247 OA
ENDROOT
BRANCH   7  13
ATOM     13  N   LIG    1        1.062   0.631   0.462  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        0.955   1.644   0.458  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.307   0.308  -0.139  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        3.443   1.058   0.249  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.663   0.858  -0.404  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.797  -0.160  -1.348  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.701  -0.956  -1.674  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.461  -0.718  -1.078  0.00  0.00    +0.025 A 
BRANCH  16  21
ATOM     21  N   LIG    1        3.298   2.142   1.150  0.00  0.00    -0.357 N 
ATOM     22  H   LIG    1        2.587   1.919   1.846  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        4.176   2.395   1.592  0.00  0.00    +0.142 HD
ENDBRANCH  16  21
ENDBRANCH  13  15
ENDBRANCH   7  13
TORSDOF 3