REMARK  Name = BDB007628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.777   0.546   0.612  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.895  -0.113  -0.414  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -1.003  -0.036  -1.462  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -1.275  -0.444  -2.347  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.046  -1.038  -0.591  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -4.259  -0.724   0.041  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -5.376  -1.565  -0.085  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1       -5.247  -2.728  -0.864  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -4.037  -3.053  -1.481  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.934  -2.213  -1.342  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.721  -1.267   0.560  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -6.707  -0.337   1.771  0.00  0.00    +0.168 C 
ATOM     13  O   LIG    1       -6.882   1.005   1.286  0.00  0.00    -0.379 OA
ATOM     14  C   LIG    1       -7.301   0.944  -0.083  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1       -7.633  -0.503  -0.384  0.00  0.00    +0.038 C 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  C   LIG    1        0.097   0.925  -1.486  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.184   0.647  -0.423  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.784   1.220   0.831  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.157   0.971   0.973  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.534   1.282  -0.847  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.741   0.656  -0.256  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        4.947   1.308  -0.813  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        6.245   0.851  -0.182  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        6.256   0.259   1.091  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        7.473  -0.123   1.672  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        8.675   0.105   1.003  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.670   0.710  -0.252  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.956  -0.024   1.797  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        7.462   1.084  -0.841  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.769   0.757   1.213  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 7