REMARK  Name = BDB024582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.033  -2.005  -1.199  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.271  -1.894  -0.023  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.641  -2.793   1.091  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.974  -2.372   1.731  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.594  -2.907   2.210  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.193  -2.868   1.639  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.038  -1.554   0.930  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.868  -0.775   1.042  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.270  -1.034   1.761  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.084  -0.020   1.542  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.488   0.918   0.715  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.759   0.435   0.367  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.789   0.916  -0.447  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.946   0.133  -0.559  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.085  -1.096   0.099  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.053  -2.686  -1.284  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.089   2.175   0.278  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -0.301   3.416   0.717  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -0.998   4.686   0.235  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1       -1.208   4.654  -1.211  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -1.656   5.523  -1.508  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.039   3.521  -1.618  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1       -1.391   2.198  -1.225  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        5.262  -1.496  -3.483  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        4.514  -1.348  -2.276  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.469   0.080   2.114  0.00  0.00    +0.109 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.571  -0.064   1.084  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -3.579  -1.137   0.181  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -4.596  -1.268  -0.770  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -5.630  -0.335  -0.825  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1       -5.639   0.724   0.086  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -4.625   0.858   1.037  0.00  0.00    +0.007 A 
BRANCH  30  33
ATOM     33  O   LIG    1       -6.678  -0.343  -1.702  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -6.714  -1.404  -2.648  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 5