REMARK  Name = BDB019157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.037   0.795   1.534  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.503  -0.639   1.612  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.931  -0.412   2.050  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.308   0.912   1.388  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.075   1.670   1.247  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.963   0.757  -0.009  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1        3.382   0.193   0.023  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        3.775  -0.790  -0.910  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1        5.079  -1.308  -0.885  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        6.004  -0.826   0.037  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.643   0.172   0.936  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1        7.604  -1.458   0.055  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        2.782  -1.321  -1.911  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1        1.641  -0.333  -2.100  0.00  0.00    +0.165 C 
ATOM     15  C   LIG    1        4.342   0.684   0.924  0.00  0.00    +0.008 A 
ATOM     16  O   LIG    1        1.076  -0.037  -0.825  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     17  C   LIG    1       -6.243   0.476  -1.807  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1       -5.303   0.141  -0.692  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -4.027   0.703  -0.545  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -3.231   1.638  -1.260  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -2.037   1.774  -0.586  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1       -2.074   0.956   0.518  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1       -3.282   0.295   0.553  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1       -3.656  -0.596   1.493  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1       -4.899  -1.059   1.262  0.00  0.00    +0.223 A 
ATOM     26  N   LIG    1       -5.727  -0.750   0.246  0.00  0.00    -0.240 NA
ENDBRANCH   1  22
BRANCH   2  27
ATOM     27  O   LIG    1       -1.181  -1.463   2.571  0.00  0.00    -0.385 OA
ATOM     28  H   LIG    1       -2.134  -1.419   2.331  0.00  0.00    +0.210 HD
ENDBRANCH   2  27
BRANCH   3  29
ATOM     29  O   LIG    1        0.957  -0.257   3.482  0.00  0.00    -0.386 OA
ATOM     30  H   LIG    1        0.329  -0.933   3.816  0.00  0.00    +0.210 HD
ENDBRANCH   3  29
TORSDOF 4