REMARK  Name = BDB038864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.165   1.447  -2.114  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        0.977   0.702  -1.978  0.00  0.00    -0.235 NA
ATOM      3  C   LIG    1        1.084  -0.070  -0.868  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        0.057  -0.078   0.071  0.00  0.00    +0.077 A 
ATOM      5  N   LIG    1       -0.060  -0.769   1.256  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1        0.653  -1.402   1.602  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.250  -0.480   1.878  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.926   0.430   1.065  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.191   0.894   1.481  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -3.730   0.432   2.688  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.029  -0.477   3.477  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.774  -0.952   3.087  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.100   0.683  -0.076  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.227   1.487  -1.217  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1        2.276  -0.881  -0.675  0.00  0.00    +0.159 A 
ATOM     16  N   LIG    1        3.316  -0.906  -1.574  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        3.346  -0.375  -2.432  0.00  0.00    +0.167 HD
ATOM     18  C   LIG    1        4.273  -1.760  -1.102  0.00  0.00    +0.104 A 
ATOM     19  C   LIG    1        3.772  -2.232   0.086  0.00  0.00    +0.130 A 
ATOM     20  N   LIG    1        2.540  -1.686   0.344  0.00  0.00    -0.234 NA
ENDBRANCH   3  15
BRANCH   1  22
ATOM     21  O   LIG    1       -1.155   3.010  -3.662  0.00  0.00    -0.243 OA
ATOM     22  C   LIG    1       -0.231   2.279  -3.353  0.00  0.00    +0.355 C 
BRANCH  22  23
ATOM     23  OXT LIG    1        0.890   2.108  -4.096  0.00  0.00    -0.476 OA
ATOM     24  HXT LIG    1        1.475   1.471  -3.629  0.00  0.00    +0.295 HD
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 3