REMARK  Name = BDB013881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.855  -0.455  -0.854  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.992   0.018   0.342  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -1.482   0.748   1.213  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.337  -0.422   0.394  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.941  -1.176  -0.664  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.765  -0.797  -2.013  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.355  -1.559  -3.035  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.122  -2.680  -2.731  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.308  -3.051  -1.404  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.004   0.445  -2.376  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        1.723  -2.303  -0.380  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -1.500   0.288  -2.140  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.966  -1.163   0.209  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -3.261  -0.232  -0.530  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -3.537   0.721  -0.292  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -3.621  -2.332   0.348  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -5.256  -0.590   0.833  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.085   0.861   1.100  0.00  0.00    -0.320 NA
ATOM     19  H   LIG    1       -4.320   0.969   1.774  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1       -5.920   1.201   1.578  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
BRANCH  17  22
ATOM     21  C   LIG    1       -6.485  -0.161  -1.398  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -6.479  -0.869  -0.048  0.00  0.00    +0.024 C 
ENDBRANCH  17  22
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  23
ATOM     23  C   LIG    1        1.080  -0.212   1.652  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.463   0.415   1.482  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.614   1.749   0.981  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        3.920   2.260   0.771  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        4.110   3.554   0.258  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        3.019   4.366  -0.037  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1        1.731   3.907   0.182  0.00  0.00    +0.016 A 
ATOM     30 BR   LIG    1        3.296   6.104  -0.725  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        5.033   1.475   1.084  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        4.883   0.198   1.620  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1        1.535   2.619   0.689  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        3.612  -0.336   1.828  0.00  0.00    +0.125 A 
BRANCH  34  35
ATOM     35  O   LIG    1        3.391  -1.571   2.384  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1        4.519  -2.407   2.616  0.00  0.00    +0.277 C 
ENDBRANCH  34  35
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7