REMARK  Name = BDB061233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.467  -0.485   0.918  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -1.497  -1.620   1.728  0.00  0.00    +0.137 A 
ATOM      3 CL   LIG    1       -2.865  -2.053   2.683  0.00  0.00    -0.061 Cl
ATOM      4  N   LIG    1       -0.474  -2.492   1.862  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1        0.650  -2.219   1.159  0.00  0.00    +0.135 A 
ATOM      6  C   LIG    1        0.840  -1.099   0.350  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -0.268  -0.253   0.221  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1       -6.647  -0.120  -1.616  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -6.050   0.971  -0.809  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1       -4.791   0.973  -0.149  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -4.711   2.218   0.461  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -3.614   2.625   1.222  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -2.560   1.712   1.357  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.596   0.440   0.762  0.00  0.00    -0.014 A 
ATOM     15  N   LIG    1       -5.882   2.850   0.140  0.00  0.00    -0.277 N 
ATOM     16  H   LIG    1       -6.178   3.779   0.414  0.00  0.00    +0.189 HD
ATOM     17  C   LIG    1       -3.721   0.070  -0.001  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1       -6.708   2.124  -0.632  0.00  0.00    -0.178 NA
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1        1.969  -0.846  -0.429  0.00  0.00    -0.334 N 
ATOM     20  H   LIG    1        2.060   0.143  -0.664  0.00  0.00    +0.147 HD
BRANCH  19  21
ATOM     21  CA  LIG    1        3.279  -1.446  -0.098  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.345  -0.372  -0.290  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1        4.699   0.440   0.803  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.648   1.455   0.665  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.250   1.682  -0.570  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.900   0.898  -1.667  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.951  -0.117  -1.531  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1        3.487  -2.720  -0.958  0.00  0.00    +0.182 C 
BRANCH  28  29
ATOM     29  O   LIG    1        3.002  -2.538  -2.293  0.00  0.00    -0.393 OA
ATOM     30  H   LIG    1        2.195  -1.993  -2.184  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 6