REMARK  Name = BDB053709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.114  -0.006  -0.860  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        1.082  -0.992  -1.886  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.053  -1.778  -1.679  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.306  -2.889  -2.497  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.600  -3.110  -3.522  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1        1.685  -2.349  -3.768  0.00  0.00    -0.263 NA
ATOM      7  N   LIG    1       -0.722  -1.273  -0.564  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1        1.932  -1.290  -2.961  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -0.046  -0.147  -0.102  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        2.321   1.849  -1.604  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        2.124   1.033  -0.708  0.00  0.00    +0.249 C 
ATOM     12  N   LIG    1        2.844   1.043   0.481  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        2.873  -0.062   1.449  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.216  -0.135   2.197  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.578   1.103   2.905  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        5.592   1.137   3.012  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        4.107   2.312   2.208  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.792   2.130   0.714  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -1.902  -1.835  -0.005  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.995  -2.122  -0.830  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.153  -2.673  -0.279  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.216  -2.946   1.088  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.122  -2.669   1.908  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.963  -2.113   1.366  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  C   LIG    1       -0.599   0.811   0.922  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.749   1.641   0.390  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -1.529   2.607  -0.604  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -2.589   3.367  -1.101  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.878   3.172  -0.611  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.109   2.217   0.377  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.051   1.456   0.876  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4