REMARK  Name = BDB048798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.112   0.120  -0.216  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1        1.962   0.905  -0.423  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.688   0.355  -0.182  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        0.596  -0.959   0.263  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1       -0.742  -1.237   0.424  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.101  -2.114   0.771  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.519  -0.152   0.083  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.720  -1.760   0.488  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.641   0.853  -0.285  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        2.976  -1.197   0.241  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.980  -0.160   0.165  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1       -3.672   0.990   0.568  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -5.066   0.992   0.653  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.787  -0.156   0.331  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.113  -1.305  -0.078  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.718  -1.307  -0.161  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
BRANCH   1  17
ATOM     17  C   LIG    1        4.482   0.698  -0.480  0.00  0.00    +0.155 C 
BRANCH  17  19
ATOM     18  O   LIG    1        4.912   0.913   1.919  0.00  0.00    -0.251 OA
ATOM     19  C   LIG    1        5.255   1.095   0.762  0.00  0.00    +0.309 C 
BRANCH  19  20
ATOM     20  O   LIG    1        6.439   1.688   0.459  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1        6.608   1.776  -0.498  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4