REMARK  Name = BDB063928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.986  -0.427  -0.773  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        1.217  -1.650  -1.301  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        2.053  -1.982  -1.744  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.078  -2.385  -1.225  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.116  -3.521  -1.608  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.864  -1.443  -0.562  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -2.122  -1.793  -0.268  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.219  -0.249  -0.322  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.138  -0.960   0.397  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.079  -1.598   1.222  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.079  -0.824   1.840  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.171   0.555   1.647  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.208   1.182   2.320  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -6.884   0.291   3.008  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.233   1.181   0.806  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -6.341  -1.328   2.901  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.233   0.419   0.186  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        1.942   0.532  -0.732  0.00  0.00    -0.304 N 
ATOM     19  H   LIG    1        1.645   1.353  -0.197  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.383   0.289  -0.650  0.00  0.00    +0.179 C 
ATOM     21  C   LIG    1        3.986   0.386  -2.046  0.00  0.00    +0.040 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.029   1.325   0.279  0.00  0.00    +0.327 C 
ATOM     23  O   LIG    1        3.425   2.260   0.792  0.00  0.00    -0.249 OA
BRANCH  22  25
ATOM     24  C   LIG    1        6.017   1.963   1.338  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        5.350   1.046   0.469  0.00  0.00    -0.467 OA
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5