REMARK  Name = BDB031338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.002   1.663  -3.403  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1        4.356   1.239  -2.462  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1        3.307   1.897  -1.804  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        2.986   2.817  -2.055  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        2.835   1.076  -0.784  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        3.584  -0.099  -0.799  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        3.365  -1.116   0.096  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.339  -0.920   1.030  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.569   0.265   1.038  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        1.824   1.294   0.123  0.00  0.00    +0.052 A 
ATOM     11  N   LIG    1        4.514  -0.001  -1.826  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        5.207  -0.682  -2.092  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1        0.522   0.455   1.984  0.00  0.00    -0.220 N 
ATOM     14  H   LIG    1        0.248   1.409   2.216  0.00  0.00    +0.173 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -0.756  -0.635   2.097  0.00  0.00    +0.046 S 
ATOM     16  O   LIG    1       -0.225  -1.960   2.335  0.00  0.00    -0.155 OA
ATOM     17  O   LIG    1       -1.688  -0.029   3.024  0.00  0.00    -0.155 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -1.486  -0.596   0.443  0.00  0.00    +0.154 C 
ATOM     19  C   LIG    1       -2.564  -1.684   0.337  0.00  0.00    +0.043 C 
ATOM     20  C   LIG    1       -3.586  -1.329  -0.733  0.00  0.00    +0.083 C 
ATOM     21  N   LIG    1       -4.297  -0.091  -0.426  0.00  0.00    -0.316 NA
ATOM     22  H   LIG    1       -4.668   0.317  -1.284  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.526   0.893   0.329  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1       -2.026   0.793   0.078  0.00  0.00    +0.043 C 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   9  13
TORSDOF 3