REMARK  Name = BDB048308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.342  -0.760   1.522  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.540   0.016   2.565  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.757  -0.683   1.822  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -4.839   2.541   0.178  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -4.996   1.251  -0.352  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -4.326   0.133   0.188  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -3.445   0.364   1.264  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -3.318   1.636   1.829  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.006   2.720   1.285  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.570  -1.204  -0.388  0.00  0.00    +0.074 A 
ATOM     11  N   LIG    1       -4.594  -1.265  -1.747  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1       -4.827  -2.467  -2.319  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -5.046  -3.632  -1.607  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.033  -3.561  -0.221  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.795  -2.335   0.397  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   4  17
ATOM     16  C   LIG    1       -6.939   3.909   0.270  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -5.595   3.705  -0.412  0.00  0.00    +0.032 C 
ENDBRANCH   4  17
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.974  -0.451   0.056  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.461  -0.816  -0.319  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.358   0.121   0.273  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.696  -0.117   0.130  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.276  -1.090  -0.686  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.676  -1.241  -0.754  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        5.246  -2.320  -1.636  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        5.501  -0.403   0.024  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        4.906   0.578   0.833  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.519   0.719   0.881  0.00  0.00    +0.046 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.012  -0.494  -0.003  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.605   0.461  -1.038  0.00  0.00    +0.125 C 
BRANCH  29  30
ATOM     30  C   LIG    1        9.108   0.349  -1.088  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1        9.787  -0.384  -0.387  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.652   1.170  -2.017  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        8.996   1.703  -2.504  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12