REMARK  Name = BDB062877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.484  -0.482   0.607  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.195  -0.300  -0.346  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.169  -1.440   1.343  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -0.217  -1.844   2.432  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.336  -2.062   0.685  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.418  -1.358   0.171  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.825   0.040   0.200  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        4.008   0.195  -0.546  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.406  -1.135  -1.040  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        5.375  -1.399  -1.720  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        4.661   1.401  -0.719  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.105   2.517  -0.098  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.941   2.390   0.681  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.303   1.151   0.841  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.392  -2.086  -0.543  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.366  -3.458  -0.726  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.303  -4.155  -0.160  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.297  -3.465   0.537  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  CA  LIG    1       -1.793   0.012   1.029  0.00  0.00    +0.213 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -5.485   0.108  -2.414  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -4.272   0.741  -1.797  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1       -3.631   0.131  -0.710  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -2.479   0.698  -0.140  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -1.965   1.883  -0.690  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -2.590   2.486  -1.781  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.735   1.915  -2.334  0.00  0.00    +0.003 A 
ENDBRANCH  19  23
BRANCH  19  27
ATOM     27  C   LIG    1       -1.683   0.952   2.244  0.00  0.00    +0.330 C 
ATOM     28  O   LIG    1       -0.777   1.736   2.493  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  OXT LIG    1       -2.763   0.892   3.057  0.00  0.00    -0.479 OA
ATOM     30  HXT LIG    1       -2.549   1.521   3.777  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 5