REMARK  Name = BDB024532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.393  -0.122  -0.838  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.487   0.512   0.034  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.033   1.700   0.718  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.184   2.876  -0.262  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.236   2.105   1.955  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.781   2.308   1.591  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.245   1.063   0.944  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.869   0.756   1.063  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.119   1.486   1.672  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.235   0.801   1.523  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.993  -0.386   0.848  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.353  -0.420   0.535  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.170  -1.334  -0.126  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.530  -1.012  -0.261  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.088   0.186   0.213  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.606   0.085  -0.810  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.992  -1.371   0.500  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.223  -1.562  -1.004  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.933  -2.917  -1.119  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.818  -3.590   0.257  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -1.766  -2.789   1.018  0.00  0.00    +0.026 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.379  -2.893  -1.579  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -4.883  -3.830  -2.183  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -5.109  -1.821  -1.221  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -4.664  -1.095  -0.747  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        5.751  -1.515  -2.695  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        4.827  -0.930  -1.776  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.572   1.263   2.034  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.623   1.479   0.963  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -3.317   2.138  -0.238  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.296   2.318  -1.216  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.594   1.862  -0.999  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.920   1.236   0.202  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.942   1.050   1.181  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 6