REMARK  Name = BDB055885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.128   0.674  -0.845  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1       -0.015  -0.174  -0.364  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1        1.317   0.635  -0.338  0.00  0.00    +0.174 C 
ATOM      4  O   LIG    1        1.199   1.796   0.501  0.00  0.00    -0.357 OA
ATOM      5  C   LIG    1        0.120   2.643   0.099  0.00  0.00    +0.215 C 
ATOM      6  C   LIG    1       -1.171   2.025  -0.498  0.00  0.00    +0.246 C 
ATOM      7  O   LIG    1       -2.166   2.725  -0.678  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.347  -0.885   0.946  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -0.759  -0.197   2.099  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.043  -0.887   3.282  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.916  -2.272   3.327  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.264  -3.118   4.783  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.507  -2.975   2.198  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.224  -2.286   1.016  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1        2.529  -0.178   0.077  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1        3.207  -0.953  -0.879  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.308  -1.727  -0.510  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        5.120  -2.672  -1.697  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.750  -1.745   0.810  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.085  -0.983   1.769  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.982  -0.207   1.406  0.00  0.00    +0.006 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1       -2.362   0.063  -1.419  0.00  0.00    +0.102 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.224  -1.500  -3.281  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -2.055  -1.094  -2.395  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -3.378  -0.321  -0.318  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.690  -0.466  -0.852  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -5.296  -0.558  -0.096  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  C   LIG    1        0.673   3.706  -0.847  0.00  0.00    +0.161 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.472   4.730  -0.083  0.00  0.00    +0.308 C 
ATOM     30  O   LIG    1        1.327   5.936  -0.215  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        2.419   4.200   0.724  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        2.412   3.217   0.751  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 9