REMARK  Name = BDB008913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784  -0.665   0.688  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.364   0.063  -0.433  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.708   0.953  -0.346  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.397   1.120   0.862  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        0.970   0.403   1.988  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.104  -0.487   1.900  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.937  -1.643   0.584  0.00  0.00    +0.119 C 
BRANCH   7  12
ATOM      8  C   LIG    1       -6.814   1.589  -0.476  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1       -5.700   0.635  -0.498  0.00  0.00    -0.304 NA
ATOM     10  C   LIG    1       -5.169   0.456   0.864  0.00  0.00    +0.099 C 
ATOM     11  C   LIG    1       -3.690   0.005   0.962  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1       -3.182  -1.049   0.065  0.00  0.00    -0.297 NA
ATOM     13  C   LIG    1       -4.172  -2.077  -0.248  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -5.064  -1.638  -1.407  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1       -6.166  -0.643  -1.055  0.00  0.00    +0.085 C 
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        2.550   2.091   0.970  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.600   1.927  -0.126  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1        4.502   0.732  -0.118  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        4.420  -0.294   0.977  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1        5.630  -1.235   1.017  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        6.002  -1.705  -0.384  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        6.336  -0.519  -1.290  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        5.383   0.633  -1.129  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.447   1.692  -2.167  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1        6.248   1.641  -3.095  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1        4.566   2.729  -2.020  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1        4.591   3.462  -2.720  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1        3.647   2.862  -1.029  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 4