REMARK  Name = BDB025049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.242  -1.093   0.100  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.482  -0.278  -0.758  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.155   0.751  -1.592  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.983   0.105  -2.720  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.214   1.772  -2.249  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.089   2.148  -1.313  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.331   0.891  -1.000  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.922   0.870  -0.936  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.035   1.891  -1.139  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.174   1.390  -0.950  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.099   0.038  -0.661  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.249  -0.299  -0.622  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.929  -1.488  -0.340  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.330  -1.458  -0.392  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.044  -0.295  -0.714  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.806  -1.930   0.885  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.154  -0.935  -0.372  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.511  -0.960   1.123  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.561  -2.017   1.486  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.755  -2.032   0.527  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -4.348  -2.034  -0.945  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.402  -0.878  -1.261  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.938  -3.393   1.578  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -2.152  -3.891   0.788  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.366  -4.083   2.655  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -2.902  -4.944   2.597  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.406  -1.629   0.863  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.582  -0.827   0.015  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.405   2.243  -1.049  0.00  0.00    +0.109 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.086   2.536   0.270  0.00  0.00    -0.039 A 
ATOM     31  C   LIG    1       -4.481   2.438   0.384  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -5.110   2.711   1.598  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       -6.818   2.551   1.726  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -4.367   3.102   2.708  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -2.984   3.234   2.599  0.00  0.00    +0.002 A 
ATOM     36  C   LIG    1       -2.349   2.960   1.387  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6