REMARK  Name = BDB013803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.600  -1.588   0.820  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.695  -1.229   1.624  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.640  -1.876   2.830  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.508  -2.567   2.804  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.177  -2.429   1.594  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.792  -0.330   1.357  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.773  -0.241   2.302  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.811   0.592   2.089  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.939   1.370   0.961  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.935   1.285   0.000  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.846   0.427   0.193  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.063   2.129  -1.211  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        4.985   2.885  -1.455  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.030   1.988  -2.059  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.244   2.600  -2.795  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.460  -1.135  -0.433  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.680  -1.574  -1.179  0.00  0.00    +0.266 C 
BRANCH  17  23
ATOM     18  C   LIG    1       -5.476   1.532  -0.014  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.254   0.727  -0.334  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -3.012   1.352  -0.458  0.00  0.00    +0.127 A 
ATOM     21  F   LIG    1       -2.917   2.682  -0.321  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -1.857   0.622  -0.727  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -1.919  -0.771  -0.862  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -3.165  -1.405  -0.740  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -4.320  -0.664  -0.469  0.00  0.00    +0.006 A 
ENDBRANCH  17  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6