REMARK  Name = BDB039327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.424   0.683  -0.816  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.610   1.686  -1.327  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.829   2.430  -2.264  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.384   1.689  -0.524  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.515   0.725   0.471  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.491   0.517   1.380  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        0.319   1.288   1.268  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        0.223   2.280   0.264  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        1.261   2.483  -0.651  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.849   0.066   0.373  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.518  -1.696   1.017  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.775  -1.069   0.267  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.848   0.294   0.180  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.467   0.698   0.872  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.771   1.084  -0.133  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.588   2.142   0.466  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.823   0.540  -1.216  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.184  -0.879  -1.657  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.662  -1.740  -0.501  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -0.761   1.075   2.238  0.00  0.00    +0.145 A 
ATOM     21  N   LIG    1       -2.105   0.890   1.925  0.00  0.00    -0.299 N 
ATOM     22  C   LIG    1       -2.777   0.764   3.135  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -4.186   0.593   3.107  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -4.818   0.528   1.920  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.096   0.623   0.649  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -1.810   0.826   4.106  0.00  0.00    +0.139 A 
ATOM     27  C   LIG    1       -2.760   0.804   0.692  0.00  0.00    +0.098 A 
ATOM     28  N   LIG    1       -0.571   0.994   3.547  0.00  0.00    -0.235 NA
BRANCH  25  29
ATOM     29  C   LIG    1       -4.884   0.532  -0.636  0.00  0.00    +0.121 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.609  -0.732  -0.782  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -4.728  -1.887  -0.968  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -5.669  -2.962  -1.494  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -6.833  -2.203  -2.120  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -6.479  -0.733  -1.960  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH   7  20
TORSDOF 4