REMARK  Name = BDB008566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.869  -0.766   0.676  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.728  -1.489   0.428  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        1.830  -2.628   1.227  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.766  -3.546   1.178  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -0.346  -3.328   0.357  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -0.430  -2.185  -0.446  0.00  0.00    -0.024 A 
ATOM      7 CL   LIG    1        0.878  -4.944   2.154  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        3.082  -2.485   1.893  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        3.725  -3.397   2.872  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        0.626  -1.249  -0.410  0.00  0.00    +0.033 A 
ATOM     11  N   LIG    1        3.711  -1.356   1.541  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.622  -1.904  -1.365  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -2.670  -3.019  -1.498  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     14  N   LIG    1       -2.256  -0.601  -1.058  0.00  0.00    -0.289 N 
ATOM     15  C   LIG    1       -2.884  -0.438   0.191  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -2.896  -1.332   1.041  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.573   0.920   0.466  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1       -2.603   1.976   0.604  0.00  0.00    -0.365 OA
ATOM     19  C   LIG    1       -2.392   2.344   1.968  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1       -3.693   2.889   2.585  0.00  0.00    +0.109 C 
ATOM     21  N   LIG    1       -4.911   2.136   2.218  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -5.375   2.647   1.465  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.520   0.813   1.693  0.00  0.00    +0.122 C 
ENDBRANCH  15  17
BRANCH  14  24
ATOM     24  C   LIG    1       -2.503   0.295  -2.171  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -1.827   1.640  -2.260  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -1.488   0.579  -3.255  0.00  0.00    +0.024 C 
ENDBRANCH  14  24
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  27
ATOM     27  C   LIG    1        3.231   0.519   0.101  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.037   0.355  -1.185  0.00  0.00    +0.051 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.228   1.683  -1.905  0.00  0.00    +0.161 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.112   3.855  -1.668  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        4.863   2.609  -1.029  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8