REMARK  Name = BDB039380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.839  -0.105  -0.195  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.170   0.566  -1.208  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.635   1.118  -2.186  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.738   0.478  -0.900  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.587  -0.313   0.233  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.325  -0.564   0.746  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.189  -0.013   0.111  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.390   0.795  -1.041  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.667   1.043  -1.559  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.918  -0.789   0.704  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.995  -1.084  -1.872  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.874  -0.837  -1.435  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.806  -1.645  -1.732  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.996  -2.422  -2.349  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.535  -1.593  -1.206  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.730  -2.493  -1.444  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.258  -0.442  -0.227  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.165   0.750  -0.528  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.618   0.303  -0.477  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.164  -0.275   0.652  0.00  0.00    +0.072 A 
ATOM     21  N   LIG    1       -1.232  -0.426   2.002  0.00  0.00    -0.251 NA
ATOM     22  C   LIG    1       -2.453  -0.658   2.510  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -2.727  -0.790   3.982  0.00  0.00    +0.056 C 
ATOM     24  C   LIG    1       -4.110  -1.449   3.960  0.00  0.00    +0.011 C 
ATOM     25  C   LIG    1       -4.799  -0.977   2.671  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -3.626  -0.756   1.770  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1       -3.572  -0.598   0.396  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -2.303  -0.365  -0.163  0.00  0.00    +0.033 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -4.792  -0.672  -0.489  0.00  0.00    +0.120 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.991   0.547  -1.278  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -6.077   0.400  -2.248  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -6.349   1.833  -2.675  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -5.911   2.689  -1.491  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -5.372   1.705  -0.464  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   7  20
TORSDOF 4