REMARK  Name = BDB051413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.554   1.606   0.203  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.099   1.030  -0.984  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        1.171   0.445  -1.033  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        1.991   0.447   0.097  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        1.544   1.044   1.276  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.276   1.629   1.325  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.288  -0.151   0.042  0.00  0.00    -0.061 C 
ATOM      8  C   LIG    1        4.379  -0.654  -0.003  0.00  0.00    -0.061 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.676  -1.253  -0.058  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        5.838  -2.603   0.261  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        7.105  -3.187   0.207  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        8.211  -2.422  -0.165  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        8.051  -1.073  -0.484  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.785  -0.488  -0.431  0.00  0.00    +0.017 A 
ENDBRANCH   8   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1       -1.760   2.236   0.353  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.870   1.687  -0.385  0.00  0.00    +0.285 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -3.994   2.332  -2.453  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.158   2.577  -1.595  0.00  0.00    +0.346 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.397   3.700  -1.632  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1       -1.784   3.724  -0.864  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  16  18
BRANCH  16  21
ATOM     21  C   LIG    1       -4.093   1.691   0.545  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.861   0.392   0.479  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -4.578  -0.645   1.378  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.269  -1.855   1.302  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.245  -2.041   0.324  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.529  -1.018  -0.579  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.839   0.193  -0.504  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8