REMARK  Name = BDB052477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.957   2.804  -0.262  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -0.405   2.517  -0.395  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -1.370   3.461  -0.695  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -2.613   2.899  -0.759  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -2.446   1.611  -0.506  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1       -1.091   4.767  -0.891  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.223   5.065  -0.765  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -1.113   1.351  -0.277  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1       -0.701   0.461  -0.046  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        1.251   4.165  -0.464  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1        3.008   4.877  -0.348  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        4.387   0.305   0.529  0.00  0.00    -0.299 NA
ATOM     13  C   LIG    1        3.991   1.508   1.294  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        2.474   1.802   1.366  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        1.825   1.768   0.037  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        2.686   1.316  -1.073  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        3.481   0.070  -0.620  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        4.504  -0.879   1.394  0.00  0.00    +0.087 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.169  -3.291   1.672  0.00  0.00    +0.008 C 
ATOM     20  C   LIG    1        5.132  -2.109   0.699  0.00  0.00    -0.003 C 
ATOM     21  C   LIG    1        6.544  -1.817   0.185  0.00  0.00    +0.008 C 
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  22
ATOM     22  C   LIG    1       -3.508   0.600  -0.462  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -3.257  -0.764  -0.302  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -4.312  -1.692  -0.266  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -5.659  -1.311  -0.396  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -5.888   0.066  -0.540  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -4.841   1.000  -0.580  0.00  0.00    +0.013 A 
BRANCH  25  28
ATOM     28  N   LIG    1       -6.701  -2.245  -0.339  0.00  0.00    -0.336 N 
ATOM     29  C   LIG    1       -6.404  -3.642  -0.654  0.00  0.00    +0.129 C 
ATOM     30  C   LIG    1       -8.064  -1.809  -0.640  0.00  0.00    +0.129 C 
ENDBRANCH  25  28
ENDBRANCH   5  22
TORSDOF 5