REMARK  Name = BDB064029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.405  -0.070  -0.407  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -1.101   0.788   0.369  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -2.109   0.862   0.411  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.237   1.560   1.070  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.472   2.451   1.862  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.083   1.040   0.617  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.235   1.551   1.070  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.888   0.029  -0.300  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.594   1.134   0.688  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.918  -0.206   0.420  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.247  -0.533   0.095  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.255   0.431   0.044  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.515  -0.040  -0.289  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.457  -1.337  -0.486  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.923   1.769   0.331  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.924  -2.072  -0.288  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.601   2.104   0.654  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.007  -0.966  -1.230  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -0.347  -1.627  -1.629  0.00  0.00    +0.149 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -4.623   1.580  -0.450  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -3.835   0.370  -0.206  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -3.399  -0.250  -1.471  0.00  0.00    +0.106 C 
ATOM     23  C   LIG    1       -2.396  -1.408  -1.216  0.00  0.00    +0.087 C 
ATOM     24  C   LIG    1       -2.705  -2.187   0.074  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -4.176  -2.048   0.446  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -4.584  -0.580   0.637  0.00  0.00    +0.084 C 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 3