REMARK  Name = BDB028090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.605   0.861  -0.122  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -1.685   0.901   0.912  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.531   1.770   1.748  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.922  -0.350   0.850  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.442  -1.125  -0.183  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.911  -2.372  -0.449  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.155  -2.820   0.344  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.691  -2.025   1.386  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        0.126  -0.768   1.650  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -2.566  -0.402  -0.852  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.465   3.235  -1.144  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.328   2.874  -0.856  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.367   2.728  -1.823  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.684   2.876  -2.772  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.154   2.088  -1.699  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.522   1.772  -2.705  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.669   1.852  -0.260  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.864   1.492   0.625  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.901   2.602   0.566  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.830  -2.524   2.243  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.849  -3.229   1.491  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        3.055  -4.179   1.774  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        3.876  -2.702   0.761  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        3.731  -1.391   0.399  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        2.795  -1.022   0.469  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        4.821  -3.437   0.495  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.667  -0.572  -0.264  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        4.227   0.687  -0.692  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        5.104   1.553  -1.347  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1        4.547   3.095  -1.871  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        6.425   1.182  -1.579  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.871  -0.066  -1.149  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        5.996  -0.938  -0.492  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4