REMARK  Name = BDB049224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.198  -0.176   1.219  0.00  0.00    +0.053 C 
ATOM      2  C   LIG    1       -1.828  -1.601   1.155  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.319  -1.279   0.908  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.271  -0.121   0.012  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.268   0.762   0.619  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.630   0.915   0.292  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1        2.322   0.448   0.043  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1        1.340   0.503   1.045  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        0.130  -0.048   0.509  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        0.407  -0.398  -0.798  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1        1.680   1.052   2.304  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.971   1.535   2.541  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1        1.717  -0.104  -1.069  0.00  0.00    -0.349 N 
ATOM     14  C   LIG    1        2.331  -0.332  -2.360  0.00  0.00    +0.149 C 
ATOM     15  C   LIG    1        3.935   1.470   1.544  0.00  0.00    +0.015 A 
BRANCH   6  18
ATOM     16  C   LIG    1        6.829  -0.049  -1.491  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        5.677  -0.113  -0.608  0.00  0.00    -0.304 N 
ATOM     18  C   LIG    1        4.691   0.866  -0.728  0.00  0.00    +0.248 C 
ATOM     19  O   LIG    1        4.654   1.697  -1.631  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        5.744  -1.085   0.473  0.00  0.00    +0.132 C 
ENDBRANCH   6  18
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  N   LIG    1       -1.601  -2.452   2.355  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -0.169  -2.680   2.583  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -2.272  -3.750   2.217  0.00  0.00    +0.104 C 
ENDBRANCH   2  21
BRANCH   4  24
ATOM     24  C   LIG    1       -4.585   0.501  -0.167  0.00  0.00    +0.123 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.608   1.502  -1.299  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -4.606   2.895  -1.127  0.00  0.00    +0.025 A 
ATOM     27 BR   LIG    1       -4.617   3.724   0.584  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1       -4.607   3.755  -2.237  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -4.611   3.240  -3.532  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.618   1.863  -3.720  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.617   1.014  -2.615  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.645  -0.309  -2.841  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 5