REMARK  Name = BDB052904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.403  -3.635  -0.754  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.356  -2.464  -0.673  0.00  0.00    +0.031 C 
ATOM      3  C   LIG    1       -0.823  -1.117  -0.125  0.00  0.00    +0.134 C 
ATOM      4  C   LIG    1       -1.675   0.102  -0.574  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1       -3.098  -0.309  -0.656  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -3.419  -1.627  -0.859  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -4.781  -1.676  -0.928  0.00  0.00    -0.260 N 
ATOM      8  H   LIG    1       -5.360  -2.493  -1.079  0.00  0.00    +0.191 HD
ATOM      9  N   LIG    1       -5.366  -0.469  -0.765  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1       -4.330   0.363  -0.604  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -2.605  -2.694  -0.984  0.00  0.00    -0.237 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.476   1.303   0.303  0.00  0.00    +0.113 A 
ATOM     13  O   LIG    1       -1.309   1.088   1.643  0.00  0.00    -0.467 OA
ATOM     14  C   LIG    1       -1.162   2.305   2.227  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1       -1.202   3.300   1.280  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -1.402   2.655   0.036  0.00  0.00    +0.045 A 
ENDBRANCH   4  12
BRANCH   3  17
ATOM     17  C   LIG    1        0.621  -0.830  -0.504  0.00  0.00    +0.227 C 
ATOM     18  N   LIG    1        1.313  -0.147   0.484  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        0.770   0.159   1.289  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        1.071  -1.156  -1.597  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.659   0.272   0.461  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        3.561  -0.044  -0.559  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.881   0.414  -0.496  0.00  0.00    +0.078 A 
ATOM     24 CL   LIG    1        5.979   0.015  -1.763  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        5.303   1.184   0.584  0.00  0.00    +0.142 A 
ATOM     26  F   LIG    1        6.564   1.631   0.661  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        4.418   1.502   1.607  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        3.100   1.046   1.546  0.00  0.00    +0.026 A 
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 3