REMARK  Name = BDB029254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.138  -0.973   0.182  0.00  0.00    +0.093 C 
ATOM      2  N   LIG    1       -0.615   0.300  -0.107  0.00  0.00    -0.301 N 
ATOM      3  C   LIG    1        0.076   1.485   0.514  0.00  0.00    +0.123 C 
ATOM      4  C   LIG    1        1.528   1.599  -0.017  0.00  0.00    +0.135 C 
ATOM      5  N   LIG    1        2.295   0.360   0.145  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1        3.685   0.475   0.214  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1        4.239   1.571   0.284  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        1.604  -0.847  -0.321  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.921   0.214   0.496  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -3.044   0.258  -0.374  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -4.318   0.240   0.192  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -4.446   0.100   1.567  0.00  0.00    +0.061 A 
ATOM     13 CL   LIG    1       -5.998   0.049   2.299  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -3.297   0.005   2.337  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1       -2.039   0.054   1.835  0.00  0.00    -0.237 NA
BRANCH  10  16
ATOM     16  N   LIG    1       -2.887   0.495  -1.756  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -3.586   0.050  -2.338  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -1.925   0.289  -2.027  0.00  0.00    +0.142 HD
ENDBRANCH  10  16
ENDBRANCH   2   9
BRANCH   3  19
ATOM     19  C   LIG    1       -0.656   2.800   0.245  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -1.075   3.597   1.324  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.747   4.801   1.102  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.008   5.218  -0.200  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -2.841   6.699  -0.473  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.604   4.442  -1.283  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.930   3.238  -1.061  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   1  26
ATOM     26  C   LIG    1       -0.560  -2.189  -0.493  0.00  0.00    +0.027 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -0.944  -4.631   0.038  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        0.116  -3.555  -0.231  0.00  0.00    -0.015 C 
ATOM     29  C   LIG    1        0.977  -4.000  -1.417  0.00  0.00    +0.007 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
BRANCH   6  30
ATOM     30  C   LIG    1        4.476  -0.808   0.212  0.00  0.00    +0.216 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.941  -0.601   0.428  0.00  0.00    +0.314 C 
ATOM     32  O   LIG    1        6.515  -0.570   1.505  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1        6.631  -0.468  -0.722  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1        7.546  -0.276  -0.426  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   6  30
TORSDOF 8