REMARK  Name = BDB038872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -3.824  -1.097  -2.482  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -2.505  -1.040  -2.168  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -2.118  -0.498  -0.986  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -3.111  -0.051  -0.107  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -3.019   0.471   1.164  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -2.153   0.593   1.670  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.260   0.791   1.661  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -5.192   0.439   0.687  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -6.560   0.657   0.953  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -6.941   1.220   2.176  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.984   1.561   3.129  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.623   1.352   2.891  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -4.469  -0.106  -0.421  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.848  -0.641  -1.661  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1       -0.685  -0.439  -0.700  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -0.061   0.744  -0.278  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.312   0.782   0.003  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        2.117  -0.350  -0.161  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        1.488  -1.536  -0.558  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        0.118  -1.578  -0.843  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  N   LIG    1        3.473  -0.392   0.172  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        3.959  -1.140  -0.318  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.247   0.842   0.188  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.707   0.510   0.398  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.154   0.047   1.647  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.498  -0.272   1.845  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        8.395  -0.131   0.793  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1        9.686  -0.437   0.982  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.974   0.318  -0.453  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        6.630   0.636  -0.653  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   3  15
BRANCH   1  32
ATOM     31  O   LIG    1       -5.332  -1.796  -4.236  0.00  0.00    -0.243 OA
ATOM     32  C   LIG    1       -4.197  -1.690  -3.801  0.00  0.00    +0.355 C 
BRANCH  32  33
ATOM     33  OXT LIG    1       -3.141  -2.128  -4.514  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1       -3.527  -2.482  -5.339  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH   1  32
TORSDOF 6