REMARK  Name = BDB024518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.466   2.263   0.395  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.729   1.193  -0.148  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.555   0.144  -0.775  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.296  -0.681   0.292  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.771  -0.754  -1.728  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.581  -1.356  -1.013  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.737  -0.260  -0.430  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.347  -0.466  -0.266  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.608  -1.591  -0.533  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.637  -1.303  -0.213  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.742   0.005   0.224  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.531   0.549   0.208  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.040   1.804   0.534  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.424   1.994   0.390  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.301   0.983  -0.038  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.645   2.476   0.113  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.946   0.731   0.623  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.550   0.214   1.939  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -4.075   0.348   2.004  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.636   1.601   1.318  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -4.118   1.802  -0.114  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.982   0.854  -0.502  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.361   2.850   2.142  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.339   3.048   2.779  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.349   3.770   2.064  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -6.106   3.511   1.506  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.585   4.051   1.915  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.807   3.010   1.322  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.754  -2.285  -0.337  0.00  0.00    +0.097 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.061  -2.562  -1.803  0.00  0.00    +0.151 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.242  -3.392  -1.949  0.00  0.00    -0.270 N 
ATOM     32  N   LIG    1       -4.462  -2.861  -1.715  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1       -5.293  -3.885  -1.946  0.00  0.00    +0.154 A 
ATOM     34  C   LIG    1       -4.608  -5.055  -2.316  0.00  0.00    +0.078 A 
ATOM     35 CL   LIG    1       -5.297  -6.553  -2.684  0.00  0.00    -0.080 Cl
ATOM     36  C   LIG    1       -3.280  -4.708  -2.309  0.00  0.00    +0.128 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7