REMARK  Name = BDB040612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.685  -0.769   1.667  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -1.721  -1.331   0.908  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -3.005  -0.767   0.905  0.00  0.00    +0.048 A 
ATOM      4 CL   LIG    1       -4.198  -1.561  -0.063  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.287   0.382   1.662  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -2.236   0.926   2.415  0.00  0.00    +0.129 A 
ATOM      7  F   LIG    1       -2.451   2.014   3.169  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.957   0.373   2.421  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.642   1.068   1.722  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1       -5.182   1.461   0.350  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.467   1.861  -0.568  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.548   1.432   0.200  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -6.894   1.712  -0.708  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.496   1.291   1.180  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.686   1.479   0.944  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.990   0.987   2.569  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.661   0.250   2.521  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.697  -1.365   1.629  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.487  -1.755  -0.684  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.391  -0.952   0.434  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.741  -0.001   0.384  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.053  -2.905  -0.702  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.160  -1.094  -1.905  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1        1.266   0.079  -2.368  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        2.232  -2.096  -3.077  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1        6.088   0.274  -0.778  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1        5.042   1.124  -1.100  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1        3.799   0.706  -1.454  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        3.569  -0.631  -1.519  0.00  0.00    +0.056 A 
ATOM     30  C   LIG    1        4.566  -1.552  -1.193  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        5.830  -1.091  -0.824  0.00  0.00    +0.049 A 
BRANCH  26  33
ATOM     32  C   LIG    1        7.651   2.016  -0.400  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        7.354   0.624  -0.411  0.00  0.00    -0.494 OA
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6