REMARK  Name = BDB003991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.754   3.279  -0.286  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1        2.141   2.254  -0.474  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        2.513   0.912  -0.027  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.526   0.033  -0.476  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        1.619  -1.318  -0.197  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        2.724  -1.755   0.545  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        3.712  -0.857   0.994  0.00  0.00    +0.021 A 
ATOM      8 CL   LIG    1        2.877  -3.429   0.915  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1        0.530   0.722  -1.192  0.00  0.00    -0.260 N 
ATOM     10  C   LIG    1        3.612   0.505   0.705  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.806   2.081  -1.239  0.00  0.00    +0.292 C 
ATOM     12  O   LIG    1        0.165   2.976  -1.747  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -0.662   0.132  -1.755  0.00  0.00    +0.149 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.739  -0.103  -0.719  0.00  0.00    -0.028 A 
ATOM     15  C   LIG    1       -2.358   0.982  -0.076  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.349   0.773   0.890  0.00  0.00    +0.060 A 
ATOM     17 CL   LIG    1       -4.051   2.163   1.637  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -3.736  -0.530   1.219  0.00  0.00    +0.059 A 
ATOM     19 CL   LIG    1       -4.949  -0.869   2.400  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -3.133  -1.615   0.576  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.143  -1.403  -0.387  0.00  0.00    +0.007 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2