REMARK  Name = BDB031552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.953   1.996   2.000  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.126   1.046   1.601  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.011   0.345   0.260  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -1.173   2.187   1.745  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -0.085   2.868   2.612  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        1.619   2.717   0.901  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        6.868  -0.744  -0.832  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        6.715  -0.842   0.658  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        7.503  -1.480   1.349  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        5.653  -0.183   1.221  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        5.560  -0.263   2.224  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.736   0.568   0.477  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.882   0.674  -0.903  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        4.049   1.384  -1.694  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        3.023   2.009  -1.071  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.777   1.954   0.302  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        3.675   1.222   1.090  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        5.996  -0.011  -1.549  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        7.797  -2.953  -1.589  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        8.038  -1.456  -1.453  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   4  21
ATOM     21  O   LIG    1       -2.406   1.885   2.441  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.310   1.072   1.816  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -3.584   1.102   0.455  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -4.548   0.238  -0.060  0.00  0.00    +0.157 A 
ATOM     25  F   LIG    1       -4.797   0.276  -1.378  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -5.223  -0.629   0.794  0.00  0.00    +0.161 A 
ATOM     27  N   LIG    1       -4.975  -0.657   2.134  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1       -4.036   0.194   2.610  0.00  0.00    +0.157 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.273  -1.590   0.305  0.00  0.00    +0.265 C 
ATOM     30  N   LIG    1       -6.555  -1.590  -1.056  0.00  0.00    -0.307 N 
ATOM     31  H   LIG    1       -6.055  -0.961  -1.675  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -6.847  -2.342   1.089  0.00  0.00    -0.268 OA
BRANCH  30  33
ATOM     33  C   LIG    1       -7.542  -2.451  -1.627  0.00  0.00    +0.073 C 
ATOM     34  C   LIG    1       -7.961  -2.291  -3.063  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1       -8.909  -1.923  -1.960  0.00  0.00    +0.024 C 
ENDBRANCH  30  33
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 7