REMARK  Name = BDB043110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.234   0.596   0.518  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.914  -0.179   0.387  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.669  -0.844  -0.624  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.021  -0.065   1.435  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        1.321   0.474   2.761  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.039   0.451   3.463  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -0.719  -0.792   2.887  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -2.243  -0.732   2.996  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1       -2.908  -1.536   1.879  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1       -2.545  -1.093   0.525  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1       -1.291  -0.314   0.465  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1        1.963   1.871   2.817  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        1.957   2.628   1.493  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -0.218  -0.847   1.434  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1        2.994   2.109   0.492  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        5.467   0.310  -0.534  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1        4.100   0.188  -0.586  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1        3.649  -0.336  -1.330  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        6.037   0.870   0.403  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1        6.229  -0.224  -1.776  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1        5.880  -1.679  -2.077  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1        8.425   0.271  -2.701  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        7.684  -0.132  -1.515  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1        7.822   0.567  -0.776  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1       -3.630  -0.382  -0.172  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.760  -1.325  -0.621  0.00  0.00    +0.051 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.834  -0.580  -1.389  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1       -5.815  -0.460  -2.794  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -4.743  -1.098  -3.635  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -6.841   0.256  -3.433  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -7.863   0.856  -2.698  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.877   0.746  -1.312  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.870   0.035  -0.662  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6