REMARK  Name = BDB054678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.367  -1.734  -0.603  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        0.267  -2.232  -1.399  0.00  0.00    +0.187 A 
ATOM      3  O   LIG    1        0.291  -3.274  -2.153  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -0.905  -1.462  -1.292  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.000  -0.319  -0.491  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.100   0.113   0.256  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1        1.339  -0.552   0.253  0.00  0.00    +0.187 A 
ATOM      8  O   LIG    1        2.315  -0.101   0.965  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.231   0.411  -0.437  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -3.267   1.019  -0.397  0.00  0.00    +0.002 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.498   1.730  -0.357  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -4.746   2.864   0.377  0.00  0.00    +0.203 A 
ATOM     13  O   LIG    1       -6.027   3.283   0.183  0.00  0.00    -0.470 OA
ATOM     14  C   LIG    1       -6.596   2.402  -0.684  0.00  0.00    +0.195 A 
ATOM     15  C   LIG    1       -5.695   1.428  -1.046  0.00  0.00    +0.049 A 
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  16
ATOM     16  C   LIG    1        2.615  -2.462  -0.649  0.00  0.00    +0.058 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.270  -3.088  -0.070  0.00  0.00    -0.048 C 
ATOM     18  C   LIG    1        4.048  -2.985  -0.472  0.00  0.00    -0.030 C 
ATOM     19  C   LIG    1        6.247  -4.198  -0.501  0.00  0.00    +0.026 C 
BRANCH  17  20
ATOM     20  C   LIG    1        5.675  -2.076   0.830  0.00  0.00    +0.026 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.619  -0.830   1.722  0.00  0.00    +0.030 C 
BRANCH  21  24
ATOM     22  C   LIG    1        4.355   1.398   4.557  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1        4.598   1.473   3.011  0.00  0.00    -0.048 C 
ATOM     24  C   LIG    1        5.140   0.431   2.459  0.00  0.00    -0.034 C 
ATOM     25  C   LIG    1        5.139   2.869   2.551  0.00  0.00    +0.026 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7