REMARK  Name = BDB028755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.724   0.485   0.335  0.00  0.00    +0.093 C 
ATOM      2  N   LIG    1        0.443  -0.425   0.558  0.00  0.00    -0.301 N 
ATOM      3  C   LIG    1        1.838   0.079   0.361  0.00  0.00    +0.123 C 
ATOM      4  C   LIG    1        1.981   1.580   0.720  0.00  0.00    +0.135 C 
ATOM      5  N   LIG    1        0.879   2.376   0.185  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1        0.940   2.709  -1.170  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1        1.796   2.231  -1.914  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -0.394   1.947   0.759  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.266  -1.682  -0.065  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1        0.259  -1.873  -1.478  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -0.013  -3.162  -1.957  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.172  -4.216  -1.070  0.00  0.00    +0.061 A 
ATOM     13 CL   LIG    1       -0.473  -5.806  -1.643  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -0.098  -3.951   0.283  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1        0.105  -2.716   0.795  0.00  0.00    -0.237 NA
BRANCH  10  16
ATOM     16  N   LIG    1        0.278  -0.819  -2.421  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1        0.601  -1.102  -3.342  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        0.762   0.018  -2.109  0.00  0.00    +0.142 HD
ENDBRANCH  10  16
ENDBRANCH   2   9
BRANCH   3  19
ATOM     19  C   LIG    1        2.849  -0.709   1.196  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        4.120  -0.995   0.667  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        5.066  -1.689   1.425  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.751  -2.100   2.719  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        5.918  -2.956   3.650  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        3.500  -1.824   3.262  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.554  -1.128   2.505  0.00  0.00    +0.007 A 
ENDBRANCH   3  19
BRANCH   1  26
ATOM     26  C   LIG    1       -1.957  -0.005   1.152  0.00  0.00    +0.030 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.346  -0.973  -0.757  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -3.330   0.017   0.419  0.00  0.00    -0.036 C 
ATOM     29  C   LIG    1       -4.414  -0.418   1.427  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -3.684   1.421  -0.095  0.00  0.00    +0.010 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
BRANCH   6  31
ATOM     31  C   LIG    1       -0.136   3.635  -1.679  0.00  0.00    +0.216 C 
BRANCH  31  32
ATOM     32  C   LIG    1        0.362   4.594  -2.714  0.00  0.00    +0.314 C 
ATOM     33  O   LIG    1        1.407   5.222  -2.698  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -0.536   4.798  -3.701  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -0.096   5.451  -4.287  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   6  31
TORSDOF 8