REMARK  Name = BDB006642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.094   1.447  -1.602  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        1.000   0.654  -1.238  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.471   0.620  -1.133  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -0.697  -0.783  -0.629  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.540  -1.472  -0.450  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.766  -2.601  -0.053  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        1.528  -0.538  -0.854  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        2.865  -0.460  -0.983  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1        3.246   0.763  -1.442  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.977  -1.312  -0.433  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -3.099  -0.626  -0.735  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -4.372  -1.140  -0.546  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1       -5.513  -0.308  -0.899  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -4.598  -2.412  -0.030  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -5.712  -2.900   0.146  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.372  -3.192   0.317  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -3.584  -4.561   0.883  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -2.160  -2.647   0.116  0.00  0.00    +0.033 A 
ENDBRANCH   4  10
BRANCH   3  19
ATOM     19  C   LIG    1       -0.850   1.725  -0.166  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -1.383   2.926  -0.670  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.739   3.968   0.191  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.565   3.822   1.565  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -2.002   5.106   2.622  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.039   2.644   2.085  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.682   1.601   1.226  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   1  27
ATOM     26  C   LIG    1        2.439   3.855  -1.010  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        2.116   2.849  -2.105  0.00  0.00    +0.054 C 
ENDBRANCH   1  27
BRANCH   8  28
ATOM     28  C   LIG    1        3.854  -1.474  -0.702  0.00  0.00    +0.172 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.479  -1.287   0.672  0.00  0.00    +0.182 C 
BRANCH  29  30
ATOM     30  O   LIG    1        5.421  -2.339   0.901  0.00  0.00    -0.381 OA
ATOM     31  C   LIG    1        6.045  -2.214   2.173  0.00  0.00    +0.194 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 6