REMARK  Name = BDB013845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.944  -0.405   0.226  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1        0.777   0.355   0.899  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.213  -0.274  -0.365  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        3.257   0.441   0.260  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        4.539   0.475  -0.306  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        4.761  -0.222  -1.476  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.812  -0.942  -2.098  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        2.583  -0.963  -1.524  0.00  0.00    +0.134 A 
BRANCH   4   9
ATOM      9  C   LIG    1        2.996   1.207   1.507  0.00  0.00    +0.339 C 
ATOM     10  O   LIG    1        1.901   1.476   1.969  0.00  0.00    -0.245 OA
BRANCH   9  11
ATOM     11  O   LIG    1        4.123   1.606   2.126  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        3.800   2.074   2.925  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   4   9
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -0.221  -0.600  -0.641  0.00  0.00    +0.140 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -2.684  -0.022  -0.318  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -1.501  -0.611   0.176  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -1.538  -1.279   1.416  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -2.710  -1.328   2.169  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -3.861  -0.722   1.680  0.00  0.00    +0.044 A 
ATOM     19 CL   LIG    1       -5.312  -0.782   2.605  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -3.857  -0.076   0.444  0.00  0.00    +0.066 A 
BRANCH  14  22
ATOM     21  C   LIG    1       -3.748   1.216  -2.064  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.590   0.566  -1.553  0.00  0.00    -0.495 OA
ENDBRANCH  14  22
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 6