REMARK  Name = BDB060665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.114  -0.740  -1.059  0.00  0.00    +0.173 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.166   0.192  -0.512  0.00  0.00    +0.060 A 
ATOM      3  N   LIG    1        1.950   0.949  -1.357  0.00  0.00    -0.355 N 
ATOM      4  H   LIG    1        1.864   0.936  -2.366  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1        2.826   1.729  -0.643  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.622   1.445   0.706  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        3.405   2.113   1.667  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        4.362   3.042   1.243  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.544   3.307  -0.113  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.778   2.655  -1.084  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        1.589   0.471   0.777  0.00  0.00    +0.034 A 
ENDBRANCH   1   2
BRANCH   1  20
ATOM     12  N   LIG    1       -1.985  -0.005   0.173  0.00  0.00    -0.221 N 
ATOM     13  C   LIG    1       -2.969  -0.496   1.000  0.00  0.00    +0.077 A 
ATOM     14  C   LIG    1       -2.571  -1.779   1.371  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -3.382  -2.518   2.255  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.571  -1.952   2.729  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.958  -0.675   2.331  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -1.355  -2.054   0.690  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -4.167   0.076   1.458  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -1.030  -0.957  -0.099  0.00  0.00    +0.090 A 
BRANCH  12  21
ATOM     21  O   LIG    1       -2.016   1.263  -0.434  0.00  0.00    -0.267 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -1.138   3.473  -0.232  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -1.629   2.253   0.524  0.00  0.00    +0.190 C 
ENDBRANCH  21  23
ENDBRANCH  12  21
ENDBRANCH   1  20
BRANCH   1  24
ATOM     24  C   LIG    1        0.701  -2.063  -1.569  0.00  0.00    -0.001 A 
ATOM     25  C   LIG    1        0.085  -2.755  -2.625  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        0.615  -3.965  -3.045  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        1.701  -4.542  -2.492  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        2.280  -3.877  -1.471  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        1.824  -2.664  -0.979  0.00  0.00    +0.027 A 
ENDBRANCH   1  24
BRANCH   1  30
ATOM     30  O   LIG    1       -0.408  -0.061  -2.209  0.00  0.00    -0.372 OA
ATOM     31  H   LIG    1       -0.912   0.702  -1.871  0.00  0.00    +0.212 HD
ENDBRANCH   1  30
TORSDOF 6