REMARK  Name = BDB038875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -2.041   2.878   0.728  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -1.043   2.027   0.351  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -1.291   0.692   0.354  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -2.569   0.252   0.716  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -3.103  -1.018   0.758  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -2.605  -1.859   0.501  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.409  -0.993   1.184  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.741   0.342   1.405  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -6.045   0.647   1.847  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -6.962  -0.390   2.051  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.599  -1.715   1.821  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.313  -2.043   1.381  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -3.586   1.128   1.099  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.318   2.504   1.115  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1       -0.198  -0.198  -0.031  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        0.241  -1.229   0.820  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.293  -2.070   0.450  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        1.928  -1.874  -0.778  0.00  0.00    +0.089 A 
ATOM     19  C   LIG    1        1.503  -0.869  -1.647  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        0.455  -0.029  -1.265  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  S   LIG    1        3.264  -2.950  -1.256  0.00  0.00    +0.001 S 
ATOM     22  O   LIG    1        3.022  -4.219  -0.590  0.00  0.00    -0.169 OA
ATOM     23  O   LIG    1        3.364  -2.910  -2.704  0.00  0.00    -0.169 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.732  -2.233  -0.533  0.00  0.00    +0.207 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.886  -0.785  -0.915  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1        4.578   0.229   0.005  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.704   1.572  -0.353  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.145   1.917  -1.628  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.463   0.919  -2.547  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.338  -0.425  -2.192  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH   3  15
BRANCH   1  32
ATOM     31  O   LIG    1       -2.401   5.245   1.006  0.00  0.00    -0.243 OA
ATOM     32  C   LIG    1       -1.664   4.322   0.709  0.00  0.00    +0.355 C 
BRANCH  32  33
ATOM     33  OXT LIG    1       -0.374   4.464   0.313  0.00  0.00    -0.476 OA
ATOM     34  HXT LIG    1       -0.004   3.566   0.135  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH   1  32
TORSDOF 6