REMARK  Name = BDB045945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.066   1.275   0.960  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.724   0.874  -0.772  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        1.822   1.881  -1.141  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.571   1.977  -0.526  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.187   1.066   0.459  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.070   0.052   0.820  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.324  -0.047   0.203  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.062   0.781  -1.475  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.293   0.375  -0.638  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.375   1.182   0.674  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        5.360   0.697   1.797  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        5.536   2.517   0.489  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        5.534   2.815  -0.438  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.259  -1.044  -0.468  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        7.416  -1.433   0.644  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        6.523  -1.699  -0.553  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.600   0.347   1.906  0.00  0.00    +0.250 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.186  -0.890   1.225  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.455  -0.613   0.559  0.00  0.00    -0.335 N 
ATOM     20  C   LIG    1       -3.596  -0.303  -0.780  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.962  -0.147  -1.021  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -5.383   0.173  -2.321  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -4.394   0.309  -3.281  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -3.074   0.160  -3.049  0.00  0.00    -0.261 NA
ATOM     25  C   LIG    1       -5.648  -0.367   0.213  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.009  -0.344   0.586  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -7.370  -0.608   1.910  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.397  -0.892   2.862  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.043  -0.922   2.519  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -2.658  -0.144  -1.797  0.00  0.00    +0.137 A 
ATOM     31  C   LIG    1       -4.688  -0.656   1.185  0.00  0.00    +0.050 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10