REMARK  Name = BDB063918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.264   2.395   2.765  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.207   1.523   1.922  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -2.221   1.150   0.897  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.393   1.791   0.798  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.734   0.117   0.124  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.556  -0.130   0.616  0.00  0.00    +0.187 C 
ATOM      7  N   LIG    1       -0.208   0.644   1.664  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        0.689   0.633   2.132  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -4.462   1.527  -0.179  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.766   0.231  -0.624  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.825   0.054  -1.532  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.590   1.126  -1.994  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -7.601   0.798  -2.884  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.595  -0.499  -3.090  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -6.288   2.420  -1.528  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -6.409  -1.401  -2.249  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -5.234   2.606  -0.624  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.266  -1.086   0.111  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.213  -1.628  -0.603  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.253  -1.846   0.864  0.00  0.00    +0.135 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.505  -1.036   1.280  0.00  0.00    +0.135 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.110  -0.138   0.171  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1        3.476  -0.908  -1.111  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        4.688  -1.819  -0.926  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        5.897  -1.044  -0.411  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        5.576  -0.253   0.854  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        4.349   0.638   0.668  0.00  0.00    +0.006 C 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  O   LIG    1        2.182  -0.217   2.420  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1        2.337  -0.758   3.216  0.00  0.00    +0.210 HD
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6