REMARK  Name = BDB064038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.795  -1.598   0.869  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.839  -2.609   1.767  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.649  -3.096   2.105  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.418  -2.858   2.215  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.782  -3.677   3.034  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.226  -1.869   1.454  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.556  -1.785   1.584  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.392  -1.128   0.645  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.446  -0.853   0.873  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.066   0.466   0.579  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.982   1.309  -0.076  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.262   0.878  -0.428  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.053   1.820  -1.067  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.380   2.939  -1.195  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.640  -0.440  -0.111  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.786   2.949  -0.570  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.733  -1.288   0.539  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.959  -1.182   0.306  0.00  0.00    -0.305 N 
ATOM     19  H   LIG    1       -2.691  -1.887   0.288  0.00  0.00    +0.149 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -5.639   0.618  -1.385  0.00  0.00    +0.132 C 
ATOM     21  N   LIG    1       -4.238   0.658  -1.009  0.00  0.00    -0.303 N 
ATOM     22  C   LIG    1       -3.394  -0.342  -1.496  0.00  0.00    +0.236 C 
ATOM     23  O   LIG    1       -3.767  -1.216  -2.279  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1       -1.968  -0.353  -0.908  0.00  0.00    +0.159 C 
ATOM     25  C   LIG    1       -1.523   1.086  -0.651  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -2.474   1.851   0.267  0.00  0.00    +0.021 C 
ATOM     27  C   LIG    1       -3.899   1.309   0.247  0.00  0.00    +0.107 C 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 3