REMARK  Name = BDB048309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.304   0.186   1.605  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.624   1.511   1.948  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.699   0.258   1.978  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.558   1.105  -0.944  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.530  -0.151  -0.319  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -4.564  -0.469   0.654  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -3.608   0.507   0.987  0.00  0.00    +0.132 A 
ATOM      8  C   LIG    1       -3.659   1.776   0.401  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.621   2.070  -0.565  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.612  -1.787   1.284  0.00  0.00    +0.138 A 
ATOM     11  O   LIG    1       -3.416  -2.396   1.542  0.00  0.00    -0.463 OA
ATOM     12  C   LIG    1       -3.687  -3.601   2.103  0.00  0.00    +0.196 A 
ATOM     13  C   LIG    1       -5.044  -3.792   2.200  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -5.643  -2.626   1.666  0.00  0.00    +0.050 A 
ENDBRANCH   6  10
BRANCH   4  16
ATOM     15  C   LIG    1       -7.877   1.976  -1.339  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.611   1.423  -1.975  0.00  0.00    +0.032 C 
ENDBRANCH   4  16
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -1.017  -0.334   0.180  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.447  -0.698  -0.062  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.216   0.496  -0.190  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.563   0.357  -0.381  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.256  -0.846  -0.521  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.652  -0.863  -0.711  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        5.344  -2.191  -0.869  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.357   0.356  -0.777  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.649   1.559  -0.633  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.268   1.557  -0.439  0.00  0.00    +0.046 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.856   0.420  -0.968  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.592   0.471   0.368  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        9.079   0.517   0.163  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        9.683   0.501  -0.896  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        9.747   0.580   1.331  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       10.691   0.606   1.067  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12