REMARK  Name = BDB064051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.224  -0.089  -0.436  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -1.145  -0.433  -1.381  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.025   0.110   0.235  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1        1.026   0.157  -0.673  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        0.764   0.324  -1.633  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        0.091   0.226   1.447  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.406   0.225  -0.384  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        3.266   0.469  -1.467  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        4.648   0.534  -1.222  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        5.196   0.359   0.050  0.00  0.00    +0.102 A 
ATOM     11  N   LIG    1        6.581   0.455   0.110  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1        7.112   0.698  -1.076  0.00  0.00    -0.109 NA
ATOM     13  C   LIG    1        4.321   0.107   1.122  0.00  0.00    +0.032 A 
ATOM     14  S   LIG    1        5.971   0.817  -2.289  0.00  0.00    +0.037 S 
ATOM     15  C   LIG    1        2.938   0.040   0.893  0.00  0.00    +0.025 A 
ENDBRANCH   4   7
BRANCH   1  18
ATOM     16  C   LIG    1       -4.896  -0.500  -0.244  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -3.575  -0.492  -0.714  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -2.524  -0.079   0.115  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1       -2.816   0.339   1.415  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -4.133   0.332   1.887  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -5.173  -0.088   1.061  0.00  0.00    +0.019 A 
BRANCH  16  23
ATOM     22  N   LIG    1       -6.810  -1.277  -1.812  0.00  0.00    -0.191 NA
ATOM     23  C   LIG    1       -5.959  -0.929  -1.104  0.00  0.00    +0.099 C 
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 3