REMARK  Name = BDB013061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.969   0.251  -0.156  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        2.486  -1.022  -0.582  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.162  -1.306  -0.348  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.980  -2.588  -0.773  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.095  -3.046  -1.295  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.278  -0.403   0.246  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.717   0.756   0.655  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        3.046  -2.055  -1.178  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.052   1.045   0.446  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.101   3.067  -1.382  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        4.835   1.897  -0.843  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        4.329   0.674  -0.324  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        5.460  -0.051  -0.014  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.726  -1.391   0.545  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        6.560   0.694  -0.306  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        6.173   1.917  -0.816  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.048  -0.728   0.425  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.444  -0.055   1.082  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.927  -0.782  -0.739  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.353  -0.905  -0.278  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -4.166   0.208  -0.084  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.900   1.646  -0.332  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.108   2.251   0.384  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.153   1.256   0.466  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.479   0.068   0.346  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.040  -1.164   0.608  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.237  -2.292   0.446  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.906  -2.165   0.014  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4