REMARK  Name = BDB053801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.213   0.236  -0.719  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.685   1.544  -0.600  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.934   1.789  -0.020  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        2.720   0.728   0.428  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        2.246  -0.580   0.332  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.999  -0.821  -0.249  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.983  -0.142  -1.262  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.865   0.895  -1.684  0.00  0.00    +0.229 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.164   0.274  -2.189  0.00  0.00    +0.042 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.823  -0.792  -1.296  0.00  0.00    +0.021 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -5.301  -1.520   0.591  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1       -4.412  -0.365   0.072  0.00  0.00    +0.062 C 
ATOM     13  C   LIG    1       -3.334  -0.133   1.143  0.00  0.00    +0.022 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.311   0.852  -0.109  0.00  0.00    +0.310 C 
ATOM     15  O   LIG    1       -6.473   0.845  -0.487  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.703   2.030   0.129  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -5.407   2.691  -0.037  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  O   LIG    1        3.921   1.047   1.018  0.00  0.00    -0.456 OA
BRANCH  18  19
ATOM     19  C   LIG    1        5.020   0.297   0.664  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1        5.355   0.033  -0.667  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        6.504  -0.703  -0.959  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        7.323  -1.158   0.075  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.999  -0.873   1.402  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.851  -0.138   1.697  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9