REMARK  Name = BDB012076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.581   0.626  -1.094  0.00  0.00    +0.037 C 
ATOM      2  C   LIG    1        0.393   0.244  -0.230  0.00  0.00    +0.062 C 
ATOM      3  C   LIG    1        0.886   1.659  -0.239  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        5.555  -0.779  -0.075  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        5.311   0.584  -0.214  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        4.030   1.036  -0.540  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.963   0.140  -0.726  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        3.240  -1.231  -0.591  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        4.519  -1.688  -0.265  0.00  0.00    +0.000 A 
ENDBRANCH   1   7
BRANCH   2  10
ATOM     10  N   LIG    1       -0.885  -0.097  -0.878  0.00  0.00    -0.310 NA
ATOM     11  H   LIG    1       -0.981   0.411  -1.758  0.00  0.00    +0.122 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.062   0.172  -0.036  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -2.209  -0.815   1.123  0.00  0.00    +0.034 C 
ATOM     14  C   LIG    1       -3.424  -0.449   1.986  0.00  0.00    +0.082 C 
ATOM     15  N   LIG    1       -4.551   0.138   1.252  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -4.473   1.155   1.272  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -4.575  -0.312  -0.136  0.00  0.00    +0.082 C 
ATOM     18  C   LIG    1       -3.333   0.139  -0.910  0.00  0.00    +0.034 C 
ENDBRANCH  10  12
ENDBRANCH   2  10
TORSDOF 3