REMARK  Name = BDB050445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.946  -1.075  -0.007  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        0.402  -0.977  -0.403  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.179  -2.084  -0.742  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.487  -1.610  -1.088  0.00  0.00    -0.020 A 
ATOM      5  C   LIG    1        2.470  -0.230  -0.951  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.634  -2.457  -1.511  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        0.588  -3.363  -0.688  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.750  -3.491  -0.304  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        1.210   0.127  -0.541  0.00  0.00    -0.355 N 
ATOM     10  H   LIG    1        0.930   1.085  -0.367  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.501  -2.367   0.029  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.754   0.637   1.648  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -1.722   0.120   0.338  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -2.468   0.807  -0.644  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -2.511   0.345  -2.076  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.193   1.947  -0.275  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -3.157   2.380   1.039  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1       -2.463   1.748   1.993  0.00  0.00    -0.237 NA
BRANCH  17  19
ATOM     19  N   LIG    1       -3.881   3.500   1.438  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -3.668   3.644   2.422  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -3.644   4.311   0.879  0.00  0.00    +0.144 HD
ENDBRANCH  17  19
BRANCH  12  23
ATOM     22  C   LIG    1       -1.915  -0.978   3.563  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -1.020  -0.015   2.797  0.00  0.00    +0.053 C 
ENDBRANCH  12  23
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1        3.533   0.791  -1.169  0.00  0.00    +0.212 C 
BRANCH  24  25
ATOM     25  O   LIG    1        2.951   2.071  -0.919  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        3.904   3.111  -1.093  0.00  0.00    +0.194 C 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 5