REMARK  Name = BDB053411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.208  -1.005   1.903  0.00  0.00    +0.121 C 
ATOM      2  C   LIG    1        0.623  -0.086   1.046  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        1.566  -0.803   0.304  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.430  -0.159  -0.569  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.368   1.240  -0.685  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.407   1.952   0.067  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.436  -2.277   0.527  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.533   1.293   0.935  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.536  -2.352   1.771  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.686  -0.762   2.369  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -1.613  -1.037   1.536  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1       -2.129  -1.371   0.307  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1       -3.500  -1.231   0.436  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.314  -1.488  -0.682  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.645  -1.859  -1.878  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -2.239  -1.998  -1.862  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1       -1.484  -2.436  -3.089  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1       -4.439  -2.173  -3.121  0.00  0.00    +0.046 C 
ATOM     19  C   LIG    1       -5.808  -1.364  -0.605  0.00  0.00    +0.046 C 
ATOM     20  N   LIG    1       -1.452  -1.756  -0.785  0.00  0.00    -0.232 NA
ATOM     21  N   LIG    1       -3.828  -0.855   1.713  0.00  0.00    -0.230 NA
BRANCH  10  23
ATOM     22  C   LIG    1       -2.357   1.064   4.041  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -2.587  -0.421   3.821  0.00  0.00    +0.071 C 
ENDBRANCH  10  23
ENDBRANCH   1  11
BRANCH   5  24
ATOM     24  C   LIG    1        3.293   1.956  -1.577  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        4.389   2.726  -1.115  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.180   3.408  -2.063  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        4.917   3.324  -3.431  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.852   2.559  -3.883  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.048   1.884  -2.965  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  C   LIG    1        4.772   2.870   0.296  0.00  0.00    +0.180 A 
ATOM     31  N   LIG    1        4.473   2.006   1.317  0.00  0.00    -0.239 N 
ATOM     32  H   LIG    1        3.942   1.147   1.306  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        5.005   2.432   2.470  0.00  0.00    -0.046 NA
ATOM     34  N   LIG    1        5.636   3.554   2.161  0.00  0.00    -0.023 NA
ATOM     35  N   LIG    1        5.511   3.833   0.823  0.00  0.00    -0.108 NA
ENDBRANCH  25  30
ENDBRANCH   5  24
TORSDOF 4