REMARK  Name = BDB064700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.280   0.661  -0.865  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        3.145  -0.173  -0.206  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        4.138   0.656   0.293  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        5.165   0.038   1.024  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1        5.131  -1.305   1.178  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1        4.095  -1.987   0.642  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1        3.899   1.969  -0.053  0.00  0.00    -0.217 NA
ATOM      8  N   LIG    1        3.053  -1.505  -0.064  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1        2.776   1.932  -0.735  0.00  0.00    +0.168 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1        6.226   0.736   1.586  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1        6.389   1.641   1.161  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1        7.028   0.142   1.752  0.00  0.00    +0.144 HD
ENDBRANCH   4  10
BRANCH   9  13
ATOM     13  S   LIG    1        2.001   3.336  -1.378  0.00  0.00    -0.105 S 
ATOM     14  H   LIG    1        2.906   4.223  -0.939  0.00  0.00    +0.110 HD
ENDBRANCH   9  13
BRANCH   1  15
ATOM     15  C   LIG    1        1.080   0.225  -1.542  0.00  0.00    +0.167 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.120   0.157  -0.605  0.00  0.00    +0.250 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.260  -0.221  -1.378  0.00  0.00    -0.490 OA
BRANCH  17  22
ATOM     18  C   LIG    1       -6.391  -0.788   0.986  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.017  -0.657   0.398  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -4.810  -0.851  -0.971  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.534  -0.697  -1.519  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -2.451  -0.337  -0.714  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -2.656  -0.129   0.649  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.933  -0.283   1.200  0.00  0.00    +0.007 A 
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6