REMARK  Name = BDB006856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.765   0.207  -0.509  0.00  0.00    +0.235 C 
ATOM      2  N   LIG    1        2.012  -0.153  -0.015  0.00  0.00    -0.255 N 
ATOM      3  C   LIG    1        3.218   0.474  -0.363  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        4.279  -0.153   0.280  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1        5.572   0.303   0.090  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        5.753   1.396  -0.751  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.634   1.966  -1.352  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        3.825  -1.311   1.100  0.00  0.00    +0.058 C 
ATOM      9  N   LIG    1        3.368   1.526  -1.173  0.00  0.00    -0.240 NA
ATOM     10  C   LIG    1        2.301  -1.207   0.966  0.00  0.00    +0.120 C 
ATOM     11  O   LIG    1        0.581   1.073  -1.364  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.406  -0.598   0.104  0.00  0.00    +0.181 C 
BRANCH  12  19
ATOM     13  C   LIG    1       -5.318  -1.192   0.456  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -4.191  -0.642  -0.416  0.00  0.00    +0.065 C 
ATOM     15  N   LIG    1       -4.383   0.812  -0.626  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1       -4.004   1.011  -1.557  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -3.535   1.571   0.308  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -2.025   1.247   0.158  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1       -1.745  -0.130  -0.311  0.00  0.00    -0.291 NA
ATOM     20  C   LIG    1       -2.800  -1.041   0.160  0.00  0.00    +0.103 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 2