REMARK  Name = BDB050463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.625   0.810  -0.924  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -1.564   1.519  -2.137  0.00  0.00    +0.039 A 
ATOM      3 BR   LIG    1       -2.676   1.058  -3.611  0.00  0.00    -0.048 Br
ATOM      4  C   LIG    1       -0.682   2.589  -2.298  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        0.159   2.961  -1.250  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        0.126   2.268  -0.033  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.784   1.206   0.120  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -2.099  -1.109   1.310  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.709  -1.140   0.247  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1       -2.535  -0.269  -0.815  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.103  -0.423  -1.642  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1       -3.808  -2.160  -0.024  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1       -3.983  -3.156   1.113  0.00  0.00    +0.093 C 
ATOM     14  N   LIG    1       -4.572  -4.335   0.462  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1       -5.548  -4.137   0.240  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.815  -4.465  -0.784  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -3.542  -3.040  -1.247  0.00  0.00    +0.029 C 
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1        1.034   2.671   1.115  0.00  0.00    +0.162 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.458   2.524   0.807  0.00  0.00    -0.289 N 
ATOM     20  C   LIG    1        3.108   1.251   0.880  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        4.459   1.145   0.530  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.139  -0.081   0.578  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        4.468  -1.228   0.985  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.127  -1.145   1.344  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.186   2.351   0.106  0.00  0.00    +0.262 A 
ATOM     26  O   LIG    1        6.362   2.317  -0.235  0.00  0.00    -0.267 OA
ATOM     27  N   LIG    1        4.469   3.514   0.113  0.00  0.00    -0.274 N 
ATOM     28  H   LIG    1        4.954   4.347  -0.185  0.00  0.00    +0.173 HD
ATOM     29  C   LIG    1        2.454   0.082   1.295  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        3.146   3.662   0.414  0.00  0.00    +0.330 A 
ATOM     31  O   LIG    1        2.636   4.778   0.316  0.00  0.00    -0.246 OA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4