REMARK  Name = BDB055877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.148  -0.376  -0.163  0.00  0.00    +0.205 C 
ATOM      2  C   LIG    1        1.678   1.014   0.352  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1        2.487   1.819   0.818  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.296   1.266   0.326  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.539   0.463  -0.593  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1       -0.056  -1.016  -0.754  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1        1.329  -1.009  -1.136  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.051   0.534  -0.392  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -2.656   0.512   0.875  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.047   0.543   1.008  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.852   0.591  -0.126  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -6.563   0.631   0.039  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.277   0.607  -1.393  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.886   0.575  -1.525  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -0.294  -2.043   0.344  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -0.272  -1.736   1.713  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -0.482  -2.731   2.671  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -0.470  -2.315   4.342  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -0.700  -4.050   2.289  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -0.699  -4.380   0.937  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -0.493  -3.387  -0.024  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        3.563  -0.252  -0.760  0.00  0.00    +0.052 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.155  -1.585  -1.216  0.00  0.00    +0.123 C 
BRANCH  23  25
ATOM     24  O   LIG    1        3.694  -3.504   0.172  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1        4.385  -2.526  -0.063  0.00  0.00    +0.305 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.438  -2.179   0.710  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1        5.910  -1.379   0.409  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   4  28
ATOM     28  C   LIG    1       -0.103   2.642   0.642  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.070   3.554  -0.539  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -1.085   3.897  -1.447  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -0.538   4.934  -0.508  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 8