REMARK  Name = BDB007976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.493  -3.636   1.293  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.793  -2.801   1.861  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1       -2.313  -1.677   2.466  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -1.636  -0.931   2.617  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.711  -1.322   2.323  0.00  0.00    +0.178 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.899  -0.660   0.967  0.00  0.00    +0.127 A 
ATOM      7  N   LIG    1       -3.860  -1.502  -0.114  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1       -3.640  -2.486   0.022  0.00  0.00    +0.170 HD
ATOM      9  C   LIG    1       -3.885  -1.042  -1.396  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1       -3.702  -1.765  -2.367  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -4.119   0.406  -1.529  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1       -4.255   0.977  -2.902  0.00  0.00    +0.202 C 
ATOM     13  O   LIG    1       -4.745   2.328  -2.882  0.00  0.00    -0.375 OA
ATOM     14  C   LIG    1       -4.060   3.126  -1.914  0.00  0.00    +0.166 C 
ATOM     15  C   LIG    1       -4.375   2.626  -0.505  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -4.182   1.135  -0.403  0.00  0.00    +0.056 A 
ATOM     17  N   LIG    1       -4.049   0.623   0.865  0.00  0.00    -0.237 NA
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.266  -2.900   1.948  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1        0.349  -1.560   1.788  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1        1.730  -1.570   2.285  0.00  0.00    +0.086 C 
ATOM     21  C   LIG    1        2.503  -0.334   1.826  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1        2.640  -0.306   0.289  0.00  0.00    +0.040 C 
ATOM     23  C   LIG    1        2.624   1.151  -0.171  0.00  0.00    +0.170 C 
ATOM     24  O   LIG    1        1.663   1.901  -0.197  0.00  0.00    -0.291 OA
ATOM     25  C   LIG    1        3.968   1.555  -0.561  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        4.790   0.434  -0.528  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        6.131   0.555  -0.855  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        6.612   1.819  -1.201  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        5.775   2.943  -1.230  0.00  0.00    +0.039 A 
ATOM     30  F   LIG    1        7.905   1.960  -1.519  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        4.424   2.816  -0.907  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        4.037  -0.812  -0.181  0.00  0.00    +0.050 C 
ATOM     33  C   LIG    1        1.513  -1.098  -0.396  0.00  0.00    +0.030 C 
ATOM     34  C   LIG    1        0.217  -1.042   0.412  0.00  0.00    +0.086 C 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 4