REMARK  Name = BDB065129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.910   1.590   0.400  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1        0.185   2.950   0.091  0.00  0.00    +0.193 C 
ATOM      3  C   LIG    1       -1.340   2.899   0.272  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -2.006   1.613  -0.243  0.00  0.00    -0.004 C 
ATOM      5  C   LIG    1       -2.054   1.590  -1.776  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -1.441   0.320   0.478  0.00  0.00    -0.025 C 
ATOM      7  C   LIG    1       -1.295  -0.877  -0.482  0.00  0.00    +0.012 C 
ATOM      8  C   LIG    1       -0.060   0.659   1.206  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1        0.643  -0.557   1.861  0.00  0.00    +0.006 C 
ATOM     10  C   LIG    1        2.030  -0.249   2.428  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        2.267   1.235   2.620  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        2.105   1.960   1.304  0.00  0.00    +0.147 C 
ATOM     13  O   LIG    1        2.902   2.848   0.992  0.00  0.00    -0.297 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        1.565   0.996  -0.875  0.00  0.00    +0.250 C 
BRANCH  14  15
ATOM     15  O   LIG    1        2.114  -0.314  -0.671  0.00  0.00    -0.460 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.820  -0.781  -1.738  0.00  0.00    +0.335 C 
ATOM     17  O   LIG    1        2.983  -0.192  -2.796  0.00  0.00    -0.245 OA
BRANCH  16  20
ATOM     18  C   LIG    1        3.266  -4.370  -0.289  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1        2.809  -2.996  -0.661  0.00  0.00    -0.020 C 
ATOM     20  C   LIG    1        3.447  -2.103  -1.443  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1        4.772  -2.300  -2.116  0.00  0.00    +0.051 C 
ENDBRANCH  16  20
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   2  22
ATOM     22  O   LIG    1        0.495   3.392  -1.250  0.00  0.00    -0.460 OA
BRANCH  22  23
ATOM     23  C   LIG    1        0.462   4.734  -1.479  0.00  0.00    +0.304 C 
ATOM     24  O   LIG    1        0.119   5.586  -0.673  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1        0.888   5.019  -2.886  0.00  0.00    +0.136 C 
ENDBRANCH  22  23
ENDBRANCH   2  22
BRANCH   6  26
ATOM     26  C   LIG    1       -2.472  -0.077   1.613  0.00  0.00    +0.011 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.864  -0.590   1.185  0.00  0.00    +0.035 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.966  -2.066   0.958  0.00  0.00    -0.026 C 
ATOM     29  C   LIG    1       -3.669  -3.062   2.012  0.00  0.00    +0.264 C 
ATOM     30  O   LIG    1       -3.936  -4.321   1.395  0.00  0.00    -0.457 OA
ATOM     31  C   LIG    1       -4.348  -4.114   0.116  0.00  0.00    +0.332 C 
ATOM     32  O   LIG    1       -4.648  -4.977  -0.688  0.00  0.00    -0.246 OA
ATOM     33  C   LIG    1       -4.376  -2.678  -0.152  0.00  0.00    +0.094 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 9