REMARK  Name = BDB063863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.271  -0.898   0.107  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.385  -2.131  -0.437  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.220  -2.674  -0.551  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.850  -2.581  -0.770  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.160  -3.642  -1.272  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.722  -1.445  -0.364  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.049  -1.472  -0.547  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.945  -0.444   0.176  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.005  -0.408  -0.201  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.126  -0.231  -1.028  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.069   0.759  -0.695  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.930   1.560   0.440  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.938   2.491   0.639  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.819   2.393  -0.329  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.811   1.362   1.270  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.515   1.203  -1.522  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.866   0.379   0.946  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.346  -0.198   0.549  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.089   0.751   0.812  0.00  0.00    +0.149 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -3.560  -0.210   2.487  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -3.696   0.323   1.056  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -2.712  -0.346   0.074  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1       -2.825   0.262  -1.338  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -4.198   0.859  -1.649  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -5.309   0.103  -0.941  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -5.152   0.152   0.580  0.00  0.00    +0.005 C 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3