REMARK  Name = BDB001012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.966  -0.322   0.067  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.054   0.749   0.247  0.00  0.00    +0.045 A 
ATOM      3  I   LIG    1       -1.858   2.671   0.711  0.00  0.00    -0.041 I 
ATOM      4  C   LIG    1        0.336   0.552   0.098  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        0.777  -0.743  -0.194  0.00  0.00    +0.140 A 
ATOM      6  O   LIG    1        2.147  -1.043  -0.361  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1        3.124  -0.069  -0.244  0.00  0.00    +0.337 A 
ATOM      8  C   LIG    1        2.658   1.288   0.069  0.00  0.00    +0.093 A 
ATOM      9  O   LIG    1        4.316  -0.308  -0.390  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -0.096  -1.819  -0.325  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        1.365   1.585   0.230  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -1.463  -1.607  -0.175  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -3.343  -0.196   0.331  0.00  0.00    -0.357 N 
ATOM     14  H   LIG    1       -3.928  -0.869  -0.153  0.00  0.00    +0.142 HD
ATOM     15  H   LIG    1       -3.682   0.759   0.237  0.00  0.00    +0.142 HD
ENDBRANCH   1  13
TORSDOF 1