REMARK  Name = BDB042065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.704  -0.127  -0.082  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.157  -0.824  -1.150  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.616  -0.981  -2.264  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.863  -1.347  -0.697  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.635  -0.878   0.594  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        0.472  -1.215   1.264  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.465  -2.042   0.617  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1       -0.211  -2.499  -0.699  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.964  -2.152  -1.369  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.766  -0.009   1.026  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.790   3.038  -1.991  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.927   2.306  -1.514  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        5.605   2.673  -1.524  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        5.394   3.555  -1.971  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        4.549   2.048  -0.901  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        3.447   2.592  -0.856  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.878   0.733  -0.177  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.088   0.054  -0.818  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.267   1.013  -0.810  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.765  -2.407   1.310  0.00  0.00    +0.163 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.814  -1.432   1.039  0.00  0.00    -0.270 N 
ATOM     22  C   LIG    1       -2.923  -0.344   1.904  0.00  0.00    +0.262 A 
ATOM     23  O   LIG    1       -2.219  -0.185   2.899  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -3.962   0.663   1.589  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.790   0.481   0.477  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -5.778   1.452   0.186  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -5.906   2.577   1.016  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -5.073   2.745   2.122  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.613   1.274  -0.929  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -6.480   0.153  -1.748  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.510  -0.803  -1.462  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1       -4.669  -0.638  -0.353  0.00  0.00    +0.048 A 
ATOM     33  C   LIG    1       -4.101   1.790   2.410  0.00  0.00    +0.014 A 
ATOM     34  C   LIG    1       -3.640  -1.662  -0.060  0.00  0.00    +0.262 A 
ATOM     35  O   LIG    1       -3.566  -2.657  -0.778  0.00  0.00    -0.267 OA
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 3