REMARK  Name = BDB048348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272  -2.682  -0.661  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.602  -3.319  -0.790  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.852  -3.811  -2.152  0.00  0.00    +0.130 C 
BRANCH   2   6
ATOM      4  C   LIG    1        4.976  -4.399   0.506  0.00  0.00    +0.049 C 
ATOM      5  C   LIG    1        4.800  -2.953   0.172  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        3.662  -2.439  -0.437  0.00  0.00    +0.128 A 
ATOM      7  N   LIG    1        3.536  -1.127  -0.704  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        4.553  -0.311  -0.375  0.00  0.00    +0.162 A 
ATOM      9  N   LIG    1        5.704  -0.721   0.185  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        5.796  -2.037   0.445  0.00  0.00    +0.120 A 
BRANCH   8  11
ATOM     11  C   LIG    1        4.387   1.133  -0.646  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        3.157   1.657  -1.099  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        2.994   3.022  -1.354  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        4.062   3.886  -1.159  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        3.908   5.194  -1.403  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.287   3.411  -0.713  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        5.446   2.045  -0.458  0.00  0.00    +0.014 A 
ENDBRANCH   8  11
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.906  -2.443   0.808  0.00  0.00    +0.060 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.521  -1.922   0.952  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.624  -0.670   0.277  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.840  -0.042   0.302  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -2.994  -0.518   0.929  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.151   0.245   0.853  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -5.483  -0.049   1.468  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -6.390   0.909   0.680  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -5.523   2.125   0.277  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1       -4.169   1.473   0.183  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -3.033   1.958  -0.438  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -1.867   1.190  -0.377  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -5.530   3.243   1.316  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.835   3.979   1.298  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -7.758   3.831   2.081  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.928   4.856   0.281  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -7.814   5.261   0.393  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10