REMARK  Name = BDB054649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107   0.351   0.215  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1        0.106  -0.401   0.180  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -0.304  -1.694  -0.101  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1       -1.674  -1.681  -0.209  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -2.166  -0.438  -0.025  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -1.998   5.997   1.135  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -1.780   4.537   0.871  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -2.627   3.579   1.438  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.400   2.216   1.220  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.315   1.784   0.445  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.469   2.746  -0.120  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -0.694   4.109   0.100  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1       -2.544  -2.776  -0.478  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -2.049  -4.075  -0.660  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.929  -5.130  -0.924  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.301  -4.897  -1.008  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.800  -3.609  -0.829  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.927  -2.551  -0.565  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   2  19
ATOM     19  C   LIG    1        1.474   0.042   0.435  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1        2.423  -0.692  -0.257  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        2.074  -1.378  -0.910  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        1.706   0.983   1.182  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.826  -0.547  -0.214  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.577  -1.369  -1.066  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.972  -1.292  -1.085  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        6.631  -0.395  -0.251  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.894   0.424   0.602  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.497   0.348   0.621  0.00  0.00    +0.023 A 
ENDBRANCH  20  23
ENDBRANCH   2  19
TORSDOF 4