REMARK  Name = BDB051642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.395  -0.022   1.635  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.259  -0.260   1.246  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.568   0.608   0.251  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.207   0.410  -0.046  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -1.604   1.178  -1.059  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -0.177   0.891  -1.439  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.101  -0.600  -1.238  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -0.120  -0.989   0.157  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.819  -1.602   0.976  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        0.569  -1.857   2.158  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.338   2.179  -1.706  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.678   2.394  -1.377  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.402  -0.592   0.771  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -2.316  -1.790   1.097  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.296   1.603  -0.409  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -3.565  -1.356   1.697  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -4.092  -1.986   2.290  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.183  -1.964   0.405  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.134  -0.794   0.284  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1        3.945  -0.663  -0.854  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.838   0.404  -0.972  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        4.936   1.340   0.054  0.00  0.00    +0.018 A 
ATOM     23 BR   LIG    1        6.144   2.785  -0.106  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1        4.157   1.214   1.201  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.264   0.146   1.318  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2