REMARK  Name = BDB007998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.189  -1.368   0.236  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.481  -1.567   0.750  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.488  -2.597   1.652  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.226  -3.001   1.731  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.620  -2.282   0.883  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.714  -0.872   0.466  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.842  -1.317   1.093  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        5.012  -0.692   0.855  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.139   0.385   0.006  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.988   0.841  -0.631  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.759   0.210  -0.403  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.017   1.996  -1.558  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        3.057   2.460  -2.145  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.248   2.514  -1.707  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.120   3.257  -2.335  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.073  -0.434  -0.689  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.406  -0.372  -1.213  0.00  0.00    +0.266 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -4.332  -1.057  -1.068  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.744   0.071  -0.265  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -2.368   0.389  -0.318  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -1.893   1.481   0.435  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.748   2.217   1.256  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.093   1.879   1.325  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -5.152   2.781   2.338  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -4.592   0.818   0.572  0.00  0.00    +0.023 A 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6