REMARK  Name = BDB055114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.678   3.146  -2.176  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1        0.349   2.842  -1.853  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -0.723   3.635  -2.234  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -1.909   3.111  -1.806  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -1.607   1.995  -1.165  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1       -0.596   4.770  -2.951  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.680   5.070  -3.281  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -0.244   1.801  -1.188  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        0.244   1.014  -0.793  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        1.806   4.323  -2.942  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1        3.504   4.947  -3.523  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        3.767  -0.277  -0.822  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        3.003  -0.110  -2.083  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        3.107   1.273  -2.765  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        2.772   2.360  -1.830  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        3.020   2.104  -0.403  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        4.127   1.042  -0.233  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        4.979  -1.094  -1.047  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        6.288  -2.949   3.537  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        6.124  -2.307   2.222  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        7.149  -1.518   1.802  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        6.846  -0.988   0.561  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        5.633  -1.465   0.247  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        5.136  -2.309   1.270  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -2.566   1.081  -0.534  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -2.179  -0.035   0.212  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.140  -0.880   0.793  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -4.518  -0.652   0.659  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -4.887   0.471  -0.093  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -3.936   1.322  -0.675  0.00  0.00    +0.013 A 
BRANCH  28  31
ATOM     31  N   LIG    1       -5.454  -1.495   1.230  0.00  0.00    -0.326 N 
ATOM     32  C   LIG    1       -5.132  -2.352   2.382  0.00  0.00    +0.133 C 
ATOM     33  C   LIG    1       -6.382  -2.567   3.252  0.00  0.00    +0.178 C 
ATOM     34  O   LIG    1       -7.481  -3.172   2.556  0.00  0.00    -0.377 OA
ATOM     35  C   LIG    1       -7.516  -2.844   1.160  0.00  0.00    +0.178 C 
ATOM     36  C   LIG    1       -6.866  -1.493   0.814  0.00  0.00    +0.133 C 
ENDBRANCH  28  31
ENDBRANCH   5  25
TORSDOF 5