REMARK  Name = BDB017733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.763  -0.061   2.731  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        5.552   3.223   3.030  0.00  0.00    +0.063 C 
ATOM      3  C   LIG    1        4.376   2.305   2.910  0.00  0.00    +0.016 A 
ATOM      4  N   LIG    1        3.139   2.834   3.176  0.00  0.00    -0.326 N 
ATOM      5  H   LIG    1        3.046   3.810   3.430  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        1.962   2.134   3.106  0.00  0.00    +0.254 A 
ATOM      7  O   LIG    1        0.885   2.680   3.325  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.063   0.686   2.737  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.284   0.169   2.458  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1        4.469   1.014   2.558  0.00  0.00    +0.025 A 
BRANCH   9  11
ATOM     11  C   LIG    1        3.534  -1.275   2.066  0.00  0.00    +0.070 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.293  -1.573   0.601  0.00  0.00    -0.043 A 
ATOM     13  C   LIG    1        2.337  -2.528   0.225  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        2.112  -2.823  -1.121  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        2.844  -2.170  -2.110  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.803  -1.225  -1.752  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.030  -0.931  -0.406  0.00  0.00    +0.004 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.145   0.087   1.434  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        0.102   1.020   1.041  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -0.673  -0.887   0.911  0.00  0.00    +0.245 C 
ATOM     21  O   LIG    1       -0.901  -1.962   1.452  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -1.279  -0.553  -0.405  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1       -2.661  -0.723  -0.657  0.00  0.00    -0.017 A 
ATOM     24  C   LIG    1       -3.584  -1.178   0.447  0.00  0.00    +0.046 C 
ATOM     25  C   LIG    1       -3.154  -0.474  -1.962  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -2.257  -0.040  -2.954  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -0.905   0.147  -2.677  0.00  0.00    +0.020 A 
ATOM     28 BR   LIG    1        0.270   0.712  -4.045  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1       -0.409  -0.107  -1.409  0.00  0.00    +0.028 A 
BRANCH  25  30
ATOM     30  N   LIG    1       -4.502  -0.698  -2.291  0.00  0.00    -0.341 N 
ATOM     31  H   LIG    1       -5.043  -1.097  -1.531  0.00  0.00    +0.146 HD
BRANCH  30  32
ATOM     32  C   LIG    1       -5.244   0.353  -2.999  0.00  0.00    +0.064 C 
ATOM     33  C   LIG    1       -5.572   1.505  -2.050  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1       -6.532  -0.263  -3.548  0.00  0.00    +0.027 C 
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 7