REMARK  Name = BDB041043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.098  -1.066   0.850  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.574   0.323   0.817  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.232   0.775   0.679  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.901   0.096   0.569  0.00  0.00    +0.083 C 
ATOM      5  C   LIG    1        0.191   1.101   0.108  0.00  0.00    +0.171 C 
ATOM      6  C   LIG    1        0.016   2.504   0.750  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1       -1.260   3.007   0.853  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -1.362   3.964   1.169  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1        0.981   3.195   1.090  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -2.322   2.142   0.801  0.00  0.00    +0.127 A 
ATOM     11  N   LIG    1       -3.644   2.446   0.934  0.00  0.00    -0.253 N 
ATOM     12  C   LIG    1       -4.253   3.745   1.079  0.00  0.00    +0.174 C 
ATOM     13  N   LIG    1       -4.426   1.351   0.951  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -1.071  -1.088  -0.368  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1       -0.795  -2.385   0.102  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -0.929  -3.488  -0.742  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -0.593  -5.065  -0.140  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -1.335  -3.325  -2.063  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.605  -2.046  -2.547  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -1.472  -0.937  -1.709  0.00  0.00    +0.004 A 
ENDBRANCH   4  14
BRANCH   5  21
ATOM     21  N   LIG    1        1.554   0.652   0.436  0.00  0.00    -0.299 N 
ATOM     22  H   LIG    1        2.053   1.242   1.095  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        2.309  -0.058  -0.471  0.00  0.00    +0.245 C 
ATOM     24  O   LIG    1        1.880  -0.441  -1.553  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.729  -0.315  -0.097  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.650  -0.579  -1.121  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        5.991  -0.830  -0.818  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.411  -0.826   0.510  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        8.061  -1.136   0.886  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.502  -0.579   1.538  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        4.159  -0.327   1.237  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH   5  21
TORSDOF 3