REMARK  Name = BDB040396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.536  -0.490  -1.650  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        1.526  -1.317  -1.107  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.803  -0.822  -0.799  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1        3.899  -1.964  -0.112  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.123   0.526  -1.032  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.106   1.351  -1.562  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.836   0.856  -1.865  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        4.459   1.203  -0.742  0.00  0.00    +0.107 C 
ATOM      9  C   LIG    1        5.707   0.381  -1.022  0.00  0.00    +0.227 C 
ATOM     10  O   LIG    1        5.998  -0.016  -2.149  0.00  0.00    -0.275 OA
ATOM     11  N   LIG    1        6.512   0.082   0.052  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        7.328  -0.476  -0.159  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        6.218   0.212   1.386  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        6.949  -0.270   2.246  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.925   0.910   1.730  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        4.514   1.877   0.635  0.00  0.00    +0.027 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.834  -1.034  -1.947  0.00  0.00    +0.139 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.885  -1.661  -0.763  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.628  -1.088  -0.743  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.440  -0.398  -0.027  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -3.324  -2.237  -1.757  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -2.901  -2.335   1.629  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.678  -1.530   0.564  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -5.063  -2.193   0.405  0.00  0.00    +0.025 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.887  -0.044   0.921  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -3.578   0.484   2.187  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -3.777   1.840   2.466  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -4.291   2.678   1.487  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       -4.477   3.976   1.759  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.615   2.187   0.232  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -4.418   0.834  -0.049  0.00  0.00    +0.007 A 
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5