REMARK  Name = BDB003141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.497   1.072   2.775  0.00  0.00    -0.271 OA
ATOM      2  C   LIG    1        3.342   0.540   1.678  0.00  0.00    +0.240 C 
ATOM      3  N   LIG    1        2.133   0.009   1.269  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.967   0.174   2.139  0.00  0.00    +0.127 C 
ATOM      5  C   LIG    1       -0.351   0.296   1.353  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -0.545  -0.821   0.405  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1        0.635  -1.645   0.100  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.918  -0.791   0.057  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.831  -1.249   0.098  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -2.920  -0.344   0.091  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -4.251  -0.697  -0.228  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -4.448  -2.055  -0.526  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -3.407  -2.991  -0.547  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1       -2.111  -2.578  -0.244  0.00  0.00    +0.025 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -5.260   0.261  -0.233  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1       -5.177   1.464   0.615  0.00  0.00    +0.133 C 
ATOM     17  C   LIG    1       -6.536   2.182   0.614  0.00  0.00    +0.178 C 
ATOM     18  O   LIG    1       -6.937   2.642  -0.687  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1       -6.377   1.872  -1.761  0.00  0.00    +0.178 C 
ATOM     20  C   LIG    1       -6.144   0.391  -1.414  0.00  0.00    +0.133 C 
ENDBRANCH  11  15
BRANCH  12  21
ATOM     21  N   LIG    1       -5.776  -2.580  -0.754  0.00  0.00    +0.058 N 
ATOM     22  O   LIG    1       -6.493  -2.775   0.236  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1       -6.080  -2.840  -1.929  0.00  0.00    -0.126 OA
ENDBRANCH  12  21
ENDBRANCH   6   9
BRANCH   2  24
ATOM     24  C   LIG    1        4.474   0.457   0.715  0.00  0.00    +0.068 C 
ATOM     25  C   LIG    1        5.728   0.661   1.147  0.00  0.00    +0.013 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.909   0.644   0.275  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1        7.059  -0.283  -0.766  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        8.213  -0.282  -1.557  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        9.226   0.639  -1.304  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       10.645   0.639  -2.277  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        9.099   1.556  -0.264  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.946   1.554   0.527  0.00  0.00    +0.009 A 
ENDBRANCH  25  26
ENDBRANCH   2  24
TORSDOF 5