REMARK  Name = BDB050993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.534  -0.232   0.406  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.481   0.700   0.424  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.152   0.254   0.286  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        0.087  -1.108   0.131  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1        1.449  -1.268   0.019  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        1.904  -2.156  -0.127  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        2.100  -0.056   0.103  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -0.940  -2.057   0.102  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.113   0.903   0.260  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -2.253  -1.593   0.240  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        3.554   0.081   0.005  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1        4.410  -0.889   0.544  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        5.795  -0.741   0.439  0.00  0.00    +0.019 A 
ATOM     14 BR   LIG    1        6.935  -2.059   1.173  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        6.346   0.368  -0.199  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        5.503   1.341  -0.733  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.117   1.198  -0.629  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     18  C   LIG    1       -3.961   0.241   0.532  0.00  0.00    +0.046 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.568   0.552  -0.828  0.00  0.00    +0.125 C 
BRANCH  19  21
ATOM     20  O   LIG    1       -6.330   2.173  -0.436  0.00  0.00    -0.251 OA
ATOM     21  C   LIG    1       -5.978   1.027  -0.656  0.00  0.00    +0.305 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -6.879   0.030  -0.729  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -7.741   0.477  -0.591  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5