REMARK  Name = BDB045737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.153  -1.441  -1.877  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.608  -1.524  -2.341  0.00  0.00    +0.100 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -2.326  -3.434   0.359  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1       -2.862  -2.162  -0.153  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -2.595  -1.352  -1.238  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1       -3.445  -0.268  -1.216  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -4.167  -0.436  -0.124  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1       -3.863  -1.579   0.571  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.224   0.410   0.424  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -5.909   0.076   1.602  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -6.917   0.906   2.102  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.252   2.080   1.431  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.581   2.426   0.260  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.574   1.596  -0.239  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  O   LIG    1        0.153  -0.094  -1.515  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.402   0.156  -1.023  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        2.453  -0.757  -0.943  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.694  -0.367  -0.417  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.894   0.940   0.026  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        2.838   1.849  -0.051  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        1.603   1.461  -0.575  0.00  0.00    +0.049 A 
BRANCH  19  22
ATOM     22  O   LIG    1        5.040   1.448   0.566  0.00  0.00    -0.478 OA
BRANCH  22  23
ATOM     23  C   LIG    1        6.249   0.694   0.459  0.00  0.00    +0.278 C 
ATOM     24  C   LIG    1        6.418  -0.166   1.708  0.00  0.00    +0.064 C 
BRANCH  23  25
ATOM     25  C   LIG    1        7.415   1.675   0.345  0.00  0.00    +0.346 C 
ATOM     26  O   LIG    1        8.472   1.633   0.956  0.00  0.00    -0.247 OA
BRANCH  25  27
ATOM     27  O   LIG    1        7.220   2.633  -0.587  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        8.028   3.184  -0.541  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9