REMARK  Name = BDB063173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.882   0.328   0.019  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.037  -0.698   0.249  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.409  -0.410   0.178  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1       -1.885   0.870  -0.118  0.00  0.00    +0.044 A 
ATOM      5  I   LIG    1       -3.910   1.364  -0.293  0.00  0.00    -0.041 I 
ATOM      6  C   LIG    1       -0.954   1.891  -0.330  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        0.419   1.622  -0.256  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  11
ATOM      8  N   LIG    1        2.807  -1.170  -0.104  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        3.814  -1.268  -0.170  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1        2.252  -1.895  -0.536  0.00  0.00    +0.145 HD
ATOM     11  C   LIG    1        2.351   0.104   0.085  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        3.128   1.030   0.271  0.00  0.00    -0.270 OA
ENDBRANCH   1  11
BRANCH   3  13
ATOM     13  N   LIG    1       -2.316  -1.507   0.424  0.00  0.00    +0.057 N 
ATOM     14  O   LIG    1       -2.433  -2.343  -0.481  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1       -2.858  -1.553   1.535  0.00  0.00    -0.126 OA
ENDBRANCH   3  13
TORSDOF 2