REMARK  Name = BDB032837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.217  -1.324  -1.271  0.00  0.00    -0.261 N 
ATOM      2  H   LIG    1        1.749  -1.828  -1.967  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1       -0.105  -1.678  -1.215  0.00  0.00    +0.253 C 
ATOM      4  O   LIG    1       -0.486  -2.698  -1.794  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.127  -0.869  -0.526  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -1.396   0.454  -0.895  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -2.400   1.170  -0.243  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.149   0.555   0.763  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.905  -0.774   1.111  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.901  -1.492   0.461  0.00  0.00    +0.017 A 
BRANCH   6  11
ATOM     11  O   LIG    1       -0.677   1.048  -1.894  0.00  0.00    -0.506 OA
ATOM     12  H   LIG    1       -1.063   1.919  -2.091  0.00  0.00    +0.292 HD
ENDBRANCH   6  11
ENDBRANCH   3   5
BRANCH   1  15
ATOM     13  C   LIG    1        2.948   0.966   1.149  0.00  0.00    +0.166 A 
ATOM     14  S   LIG    1        1.440   0.205   0.957  0.00  0.00    -0.030 S 
ATOM     15  C   LIG    1        1.976  -0.473  -0.513  0.00  0.00    +0.167 A 
ATOM     16  N   LIG    1        3.226  -0.220  -0.836  0.00  0.00    -0.231 NA
ATOM     17  C   LIG    1        3.781   0.626   0.109  0.00  0.00    +0.152 A 
BRANCH  13  19
ATOM     18  O   LIG    1        2.485   2.080   3.091  0.00  0.00    -0.143 OA
ATOM     19  N   LIG    1        3.359   1.850   2.249  0.00  0.00    -0.022 NA
ENDBRANCH  13  19
ENDBRANCH   1  15
TORSDOF 4