REMARK  Name = BDB040616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.026  -1.783  -0.588  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.887  -2.107   0.458  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        3.095  -1.418   0.631  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        4.050  -1.913   1.994  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.495  -0.372  -0.238  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.592  -0.037  -1.268  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        2.839   1.258  -2.387  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.384  -0.734  -1.438  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.833   0.329   0.008  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.613   0.750  -1.228  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.981  -0.055  -2.083  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        5.889   2.088  -1.369  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.396   2.339  -2.207  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        5.279   3.135  -0.725  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        5.422   4.290  -1.118  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.369   2.786   0.426  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.753   1.456   1.047  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.287  -2.495  -0.755  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.587  -2.351   0.077  0.00  0.00    +0.221 C 
ATOM     20  N   LIG    1       -1.330  -1.800  -0.044  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -1.298  -0.781  -0.029  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.835  -3.500  -0.280  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -4.984  -2.163   0.776  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1       -3.642  -1.412   0.699  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1       -3.197  -1.052   2.128  0.00  0.00    +0.023 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.776  -0.169  -0.215  0.00  0.00    +0.133 C 
ATOM     27  O   LIG    1       -2.579   0.650  -0.164  0.00  0.00    -0.376 OA
ATOM     28  C   LIG    1       -2.966   2.032  -0.233  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1       -4.446   2.062  -0.540  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1       -4.925   0.783   0.099  0.00  0.00    +0.035 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5