REMARK  Name = BDB046295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.435  -0.090   0.579  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1       -0.330   0.962   0.081  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -1.675   0.746  -0.221  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1       -2.460   1.793  -0.724  0.00  0.00    -0.320 N 
ATOM      5  H   LIG    1       -2.055   2.709  -0.872  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.792   1.660  -1.045  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -4.419   0.324  -0.842  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -3.648  -0.741  -0.338  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.280  -1.984  -0.162  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -5.631  -2.158  -0.477  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.377  -1.092  -0.974  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.774   0.150  -1.158  0.00  0.00    +0.014 A 
ATOM     13  O   LIG    1       -4.435   2.609  -1.482  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -2.234  -0.518  -0.020  0.00  0.00    +0.095 A 
ATOM     15  N   LIG    1       -1.513  -1.558   0.464  0.00  0.00    -0.251 NA
ATOM     16  C   LIG    1       -0.209  -1.318   0.747  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.620   1.121   0.809  0.00  0.00    +0.231 C 
ATOM     18  N   LIG    1        1.802   0.004   0.920  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        2.241  -0.845   1.254  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.274   2.224   0.394  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1        4.061   0.852   1.277  0.00  0.00    +0.180 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.699  -0.622  -0.568  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1        4.972   0.629   0.137  0.00  0.00    -0.300 NA
ATOM     24  C   LIG    1        6.362   0.658   0.595  0.00  0.00    +0.105 C 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 3