REMARK  Name = BDB054676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.880   2.110  -0.735  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        1.978   0.765  -0.178  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        3.066   0.139   0.122  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1        0.732   0.148   0.027  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.485   0.766  -0.275  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -0.507   2.059  -0.807  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        0.656   2.805  -1.069  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        0.570   3.991  -1.560  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.716   0.072  -0.037  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -2.748  -0.510   0.162  0.00  0.00    -0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.976  -1.201   0.398  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -3.960  -2.493   0.931  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -5.160  -3.170   1.162  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -6.372  -2.550   0.859  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -7.852  -3.382   1.143  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -6.395  -1.260   0.327  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -5.193  -0.586   0.096  0.00  0.00    +0.010 A 
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        3.130   2.800  -0.970  0.00  0.00    +0.058 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.888   3.210  -1.031  0.00  0.00    -0.048 C 
ATOM     20  C   LIG    1        4.598   3.233  -1.090  0.00  0.00    -0.030 C 
ATOM     21  C   LIG    1        6.808   4.365  -1.470  0.00  0.00    +0.026 C 
BRANCH  19  22
ATOM     22  C   LIG    1        6.427   2.010  -0.516  0.00  0.00    +0.026 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.501   0.594   0.070  0.00  0.00    +0.030 C 
BRANCH  23  26
ATOM     24  C   LIG    1        5.934  -3.183   0.190  0.00  0.00    +0.026 C 
ATOM     25  C   LIG    1        5.659  -1.915   1.069  0.00  0.00    -0.048 C 
ATOM     26  C   LIG    1        6.126  -0.789   0.624  0.00  0.00    -0.034 C 
ATOM     27  C   LIG    1        5.840  -2.191   2.600  0.00  0.00    +0.026 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7