REMARK  Name = BDB013944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.668   1.249   0.554  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.842  -0.019   0.800  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.414  -1.068   1.130  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.550   0.042   0.678  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.333   1.237   0.886  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.014   2.516   0.386  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.878   3.605   0.675  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.030   3.458   1.437  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.351   2.209   1.930  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.133   2.894  -0.520  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.516   1.124   1.656  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.236   1.888  -0.755  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.730   0.227  -0.421  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.100   0.913   0.605  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.438   0.684   1.531  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.234   0.051  -1.532  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.147  -0.272  -0.056  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.138   0.872  -0.249  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.848  -2.632  -0.537  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.544  -1.407  -0.918  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.259  -1.169  -1.874  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.227  -1.271   0.686  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.341  -1.398  -0.342  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -3.602  -1.936  -0.004  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1       -4.593  -2.049  -0.985  0.00  0.00    +0.087 A 
ATOM     26  C   LIG    1       -4.327  -1.645  -2.291  0.00  0.00    +0.162 A 
ATOM     27  F   LIG    1       -5.289  -1.761  -3.218  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -3.085  -1.137  -2.636  0.00  0.00    +0.159 A 
ATOM     29  F   LIG    1       -2.834  -0.760  -3.897  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -2.089  -1.018  -1.676  0.00  0.00    +0.050 A 
BRANCH  24  31
ATOM     31  O   LIG    1       -3.762  -2.313   1.303  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -5.000  -2.910   1.670  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6