REMARK  Name = BDB040445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.966   0.965  -0.577  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.633   1.443   0.554  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.935   1.019   0.854  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.652   1.724   2.265  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.613   0.086   0.041  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.929  -0.375  -1.105  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.629  -1.482  -2.240  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.626   0.052  -1.401  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.022  -0.383   0.401  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.158  -1.903   0.468  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.268  -2.639   0.889  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.378  -2.424   0.108  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.462  -3.429   0.171  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.546  -1.744  -0.127  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.608  -2.341  -0.269  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        7.465  -0.237  -0.106  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        6.081   0.247  -0.511  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.447   1.388  -0.867  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.725   0.902  -0.096  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.381   0.583  -0.116  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.066  -0.313   0.231  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.137   1.919  -0.651  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -3.203   0.017   2.187  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.636  -0.077   0.706  0.00  0.00    +0.068 C 
ATOM     25  C   LIG    1       -3.408  -1.535   0.245  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -5.121   0.291   0.487  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1       -5.963   0.702   1.456  0.00  0.00    +0.090 A 
ATOM     28  N   LIG    1       -7.279   0.988   1.189  0.00  0.00    -0.329 N 
ATOM     29  H   LIG    1       -7.895   1.293   1.932  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1       -7.854   0.892  -0.052  0.00  0.00    +0.249 A 
ATOM     31  O   LIG    1       -9.036   1.140  -0.260  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1       -6.949   0.465  -1.142  0.00  0.00    +0.070 A 
ATOM     33  C   LIG    1       -5.667   0.188  -0.869  0.00  0.00    +0.011 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5