REMARK  Name = BDB062921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.480  -2.830  -0.566  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.775  -2.078  -0.307  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.940  -0.800  -0.808  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1        0.017  -0.314  -1.431  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.761  -2.977   0.273  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -1.398  -4.329  -0.311  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.121  -4.300  -0.279  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.242   0.055  -0.578  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -3.526  -0.576  -1.198  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -4.588  -0.619  -0.093  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.080   0.309   0.996  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.571   0.122   0.936  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -2.065   1.462  -1.239  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1       -1.890   1.544  -2.640  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -1.724   2.770  -3.291  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -1.728   3.946  -2.552  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -1.524   5.459  -3.344  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -1.894   3.901  -1.173  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -2.059   2.671  -0.522  0.00  0.00    +0.006 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  22
ATOM     20  N   LIG    1        2.020  -1.040   0.108  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        1.451  -0.543  -0.581  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        1.691  -2.369   0.300  0.00  0.00    +0.238 C 
ATOM     23  O   LIG    1        2.313  -3.155   1.010  0.00  0.00    -0.273 OA
BRANCH  20  27
ATOM     24  C   LIG    1        5.007   1.375   1.864  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.882   0.041   2.256  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        3.904  -0.787   1.693  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        3.036  -0.288   0.726  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        3.160   1.051   0.335  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        4.139   1.879   0.898  0.00  0.00    +0.047 A 
BRANCH  24  31
ATOM     30  C   LIG    1        6.181   3.426   2.111  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.002   2.068   2.495  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 5