REMARK  Name = BDB038883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.636  -0.007  -3.802  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.370   0.247  -3.037  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -3.842  -0.752  -2.201  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -2.636  -0.522  -1.505  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -1.989   0.698  -1.680  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -0.853   0.665  -0.909  0.00  0.00    -0.352 N 
ATOM      7  H   LIG    1       -0.180   1.417  -0.860  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -0.747  -0.526  -0.224  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        0.231  -0.987   0.667  0.00  0.00    +0.096 A 
ATOM     10  N   LIG    1        0.109  -2.247   1.161  0.00  0.00    -0.238 NA
ATOM     11  CA  LIG    1       -0.971  -2.995   0.794  0.00  0.00    +0.149 A 
ATOM     12  C   LIG    1       -1.978  -2.589  -0.066  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -2.482   1.704  -2.517  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -1.848  -1.299  -0.598  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.680   1.453  -3.194  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        1.393  -0.205   1.091  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        1.257   1.097   1.609  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.373   1.832   2.019  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.645   1.267   1.914  0.00  0.00    +0.088 A 
ATOM     20  C   LIG    1        3.807  -0.032   1.431  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        2.685  -0.757   1.021  0.00  0.00    +0.012 A 
BRANCH  19  22
ATOM     22  S   LIG    1        5.069   2.180   2.459  0.00  0.00    -0.006 S 
ATOM     23  O   LIG    1        4.596   3.283   3.275  0.00  0.00    -0.170 OA
ATOM     24  O   LIG    1        6.024   1.222   2.980  0.00  0.00    -0.170 OA
ATOM     25  C   LIG    1        5.722   2.855   0.955  0.00  0.00    +0.200 C 
ENDBRANCH  19  22
ENDBRANCH   9  16
BRANCH  11  26
ATOM     26  C   LIG    1       -1.022  -4.356   1.404  0.00  0.00    +0.355 C 
ATOM     27  O   LIG    1       -1.884  -5.189   1.190  0.00  0.00    -0.243 OA
BRANCH  26  28
ATOM     28  OXT LIG    1        0.035  -4.539   2.234  0.00  0.00    -0.476 OA
ATOM     29  HXT LIG    1        0.577  -3.714   2.238  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  11  26
TORSDOF 4