REMARK  Name = BDB004118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.831  -1.696  -0.792  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.855  -0.961  -0.937  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.628  -1.377  -0.499  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.854  -2.280  -0.085  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -4.069  -0.655   0.517  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -4.205  -1.039   1.676  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -3.172   0.526   0.124  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -1.745   0.003  -0.136  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -1.012   0.185   1.108  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        0.223  -0.330   1.450  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        0.669  -0.203   2.591  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -1.825   0.847   2.112  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.970   1.472   1.328  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -3.694   1.287  -1.107  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -5.200   1.523  -1.083  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -5.959   0.349  -1.685  0.00  0.00    +0.096 C 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        1.020  -1.051   0.355  0.00  0.00    +0.078 C 
ATOM     18  C   LIG    1        2.195  -1.831   0.967  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1        3.428  -0.952   1.184  0.00  0.00    +0.108 C 
ATOM     20  N   LIG    1        3.821  -0.306  -0.063  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1        2.919  -0.315  -1.197  0.00  0.00    +0.108 C 
ATOM     22  C   LIG    1        1.490  -0.059  -0.722  0.00  0.00    +0.032 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.166  -0.086  -0.286  0.00  0.00    +0.218 A 
ATOM     24  N   LIG    1        5.582   0.192  -1.535  0.00  0.00    -0.223 NA
ATOM     25  C   LIG    1        6.896   0.420  -1.725  0.00  0.00    +0.116 A 
ATOM     26  C   LIG    1        7.825   0.384  -0.720  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        7.320   0.094   0.520  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.016  -0.142   0.755  0.00  0.00    -0.223 NA
ENDBRANCH  20  23
ENDBRANCH  10  17
TORSDOF 2