REMARK  Name = BDB013880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.322  -1.190  -1.586  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.574  -0.661  -0.364  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -1.181   0.063   0.439  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.789  -0.932  -0.204  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        1.696  -1.595  -1.122  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.352  -2.490  -2.156  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        2.378  -3.002  -3.002  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        3.717  -2.671  -2.845  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        4.070  -1.810  -1.829  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.003  -3.065  -2.504  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        3.078  -1.289  -0.992  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -1.186  -2.696  -1.654  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.679  -1.284  -0.731  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.717  -0.717  -1.550  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -2.814   0.283  -1.681  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -3.545  -2.364  -0.159  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.981  -0.452  -0.622  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -6.089  -1.310  -0.155  0.00  0.00    -0.320 NA
ATOM     19  H   LIG    1       -6.155  -2.106  -0.794  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1       -5.782  -1.746   0.720  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
BRANCH  17  22
ATOM     21  C   LIG    1       -4.510   0.477   1.737  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.799   0.783   0.272  0.00  0.00    +0.024 C 
ENDBRANCH  17  22
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  23
ATOM     23  C   LIG    1        1.323  -0.497   1.098  0.00  0.00    +0.153 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.795   0.945   1.337  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.860   2.019   0.378  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        2.312   3.295   0.824  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        2.396   4.392  -0.051  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        2.047   4.264  -1.388  0.00  0.00    +0.018 A 
ATOM     29  C   LIG    1        1.612   3.045  -1.870  0.00  0.00    +0.016 A 
ATOM     30 BR   LIG    1        2.171   5.750  -2.548  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        2.692   3.493   2.153  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        2.644   2.456   3.074  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1        1.523   1.950  -1.001  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        2.198   1.198   2.683  0.00  0.00    +0.125 A 
BRANCH  34  35
ATOM     35  O   LIG    1        2.147   0.123   3.542  0.00  0.00    -0.495 OA
ATOM     36  C   LIG    1        2.213   0.393   4.937  0.00  0.00    +0.277 C 
ENDBRANCH  34  35
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7