REMARK  Name = BDB059071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.738  -0.462  -0.334  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.350   0.891  -0.124  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.985   0.817   0.277  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -1.776   1.865   0.608  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.197   3.080   0.558  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        0.111   3.292   0.161  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -2.051   4.252   0.952  0.00  0.00    +0.065 C 
ATOM      8  N   LIG    1       -1.333  -0.530   0.265  0.00  0.00    -0.214 N 
ATOM      9  C   LIG    1        0.888   2.188  -0.196  0.00  0.00    +0.073 A 
ATOM     10  N   LIG    1       -0.287  -1.300  -0.136  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.577  -1.157   0.593  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -3.694  -0.424   1.016  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -4.893  -1.078   1.327  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -4.983  -2.463   1.218  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -6.460  -3.257   1.602  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.884  -3.206   0.801  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -2.685  -2.557   0.490  0.00  0.00    +0.029 A 
ENDBRANCH   8  11
BRANCH   9  18
ATOM     18  C   LIG    1        2.244   2.457  -0.666  0.00  0.00    +0.338 C 
ATOM     19  O   LIG    1        3.216   2.496   0.062  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        2.254   2.724  -1.988  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        1.388   2.638  -2.433  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH   9  18
BRANCH   1  22
ATOM     22  C   LIG    1        2.062  -1.098  -0.708  0.00  0.00    +0.040 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.711  -1.709   1.692  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.115  -0.984   0.413  0.00  0.00    +0.006 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        2.597  -0.598  -2.064  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        3.477  -1.627  -2.766  0.00  0.00    +0.004 C 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 6