REMARK  Name = BDB052478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.724  -3.049   1.141  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1        0.614  -2.636   1.098  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        1.655  -3.394   1.614  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        2.859  -2.771   1.447  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        2.599  -1.631   0.830  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1        1.484  -4.596   2.205  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.198  -5.006   2.253  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        1.244  -1.521   0.608  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        0.782  -0.744   0.166  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -0.899  -4.304   1.758  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1       -2.623  -5.085   1.939  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -3.421  -0.237  -0.662  0.00  0.00    -0.293 NA
ATOM     13  C   LIG    1       -3.399  -0.437   0.817  0.00  0.00    +0.104 C 
ATOM     14  C   LIG    1       -2.075  -1.051   1.327  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -1.813  -2.324   0.633  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -1.818  -2.191  -0.833  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -3.144  -1.548  -1.306  0.00  0.00    +0.104 C 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.901   0.408  -2.615  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1       -4.726   0.337  -1.087  0.00  0.00    +0.084 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.926   1.746  -0.536  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -3.978   2.755  -0.748  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -4.216   4.016  -0.226  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1       -5.318   4.340   0.482  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1       -6.223   3.358   0.676  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -6.076   2.065   0.195  0.00  0.00    +0.025 A 
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        3.588  -0.619   0.443  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        3.270   0.508  -0.317  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.258   1.448  -0.659  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        5.603   1.308  -0.274  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        5.895   0.175   0.501  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        4.917  -0.771   0.846  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  N   LIG    1        6.571   2.262  -0.606  0.00  0.00    -0.336 N 
ATOM     33  C   LIG    1        7.977   1.980  -0.317  0.00  0.00    +0.129 C 
ATOM     34  C   LIG    1        6.328   3.137  -1.752  0.00  0.00    +0.129 C 
ENDBRANCH  29  32
ENDBRANCH   5  26
TORSDOF 5