REMARK  Name = BDB052480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.682   1.561  -0.191  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -0.461   1.794   0.401  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        0.210   1.087   0.676  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -0.300   3.147   0.558  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -1.495   3.676   0.090  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -1.770   4.997   0.068  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.770   5.774   0.538  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1        0.457   5.321   1.020  0.00  0.00    +0.059 A 
ATOM      9 BR   LIG    1        1.715   6.606   1.631  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1        0.740   3.942   1.055  0.00  0.00    +0.073 A 
ATOM     11  N   LIG    1       -2.340   2.696  -0.343  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -3.177  -2.328  -1.376  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -1.805  -2.028  -1.384  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.302  -0.776  -0.990  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -2.165   0.236  -0.575  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -3.534  -0.032  -0.568  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -4.024  -1.291  -0.948  0.00  0.00    +0.024 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -2.755  -4.589  -2.280  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1       -3.671  -3.588  -1.736  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1       -5.054  -3.677  -2.200  0.00  0.00    +0.129 C 
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH  10  21
ATOM     21  N   LIG    1        1.952   3.445   1.541  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1        1.853   2.640   2.772  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        2.741   1.379   2.721  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1        2.506   0.610   1.482  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        2.868   1.435   0.299  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        2.896   2.971   0.517  0.00  0.00    +0.120 C 
BRANCH  24  27
ATOM     27  C   LIG    1        3.248  -0.660   1.518  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.664  -1.694   0.586  0.00  0.00    -0.031 A 
ATOM     29  C   LIG    1        3.176  -1.891  -0.698  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        2.607  -2.872  -1.496  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1        1.582  -3.661  -1.107  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1        1.100  -3.452   0.136  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        1.591  -2.489   1.002  0.00  0.00    +0.024 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  10  21
TORSDOF 5