REMARK  Name = BDB043088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.171  -0.714   1.117  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.053  -0.434   0.086  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.201   0.377  -0.832  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.141  -1.099   0.280  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.365  -2.157   1.252  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -1.645  -2.844   0.776  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -2.396  -1.808  -0.057  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -3.526  -1.114   0.704  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1       -4.161  -0.041  -0.188  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1       -3.203   0.896  -0.797  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1       -1.811   0.652  -0.384  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -0.459  -1.595   2.672  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1        0.910  -1.274   3.279  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -1.325  -0.811  -0.535  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1        1.740  -0.243   2.511  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        4.338  -0.585  -0.075  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1        3.361   0.014   0.694  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1        3.276   1.016   0.543  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        4.422  -1.801  -0.226  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1        5.270   0.428  -0.783  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1        6.546  -0.232  -1.297  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1        6.328   1.376   1.231  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        5.507   1.635   0.053  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1        5.981   2.332  -0.523  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1       -3.332   0.979  -2.260  0.00  0.00    +0.087 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.652   1.635  -2.727  0.00  0.00    -0.003 C 
ATOM     27  C   LIG    1       -4.719   1.634  -4.256  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -4.795   3.066  -2.202  0.00  0.00    +0.008 C 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5