REMARK  Name = BDB047030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.370  -0.615  -2.001  0.00  0.00    -0.066 C 
ATOM      2  C   LIG    1        0.233  -0.751  -2.364  0.00  0.00    -0.094 C 
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        5.370  -0.091  -0.706  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1        4.947  -1.323  -1.226  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        3.628  -1.496  -1.653  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        2.721  -0.440  -1.566  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        3.135   0.791  -1.055  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        4.454   0.966  -0.628  0.00  0.00    +0.005 A 
BRANCH   3   9
ATOM      9  C   LIG    1        6.796   0.083  -0.231  0.00  0.00    +0.078 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.053  -0.653   1.092  0.00  0.00    +0.230 C 
BRANCH  10  12
ATOM     11  C   LIG    1        6.469   0.946   2.761  0.00  0.00    +0.195 C 
ATOM     12  O   LIG    1        7.534   0.257   2.111  0.00  0.00    -0.368 OA
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1        8.147  -1.703   0.890  0.00  0.00    +0.334 C 
ATOM     14  O   LIG    1        8.084  -2.636   0.103  0.00  0.00    -0.248 OA
BRANCH  13  15
ATOM     15  O   LIG    1        9.220  -1.489   1.695  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1        9.031  -0.680   2.228  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   2  17
ATOM     17  C   LIG    1       -1.162  -0.910  -2.806  0.00  0.00    +0.130 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.741   0.403  -3.337  0.00  0.00    +0.242 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.936   1.363  -2.295  0.00  0.00    -0.491 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.091   1.332  -1.567  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -4.131   0.410  -1.698  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -5.259   0.499  -0.873  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -5.340   1.500   0.097  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -4.317   2.436   0.218  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -3.194   2.344  -0.607  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -6.436   1.659   0.913  0.00  0.00    -0.456 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.925   0.534   1.538  0.00  0.00    +0.128 A 
ATOM     28  C   LIG    1       -8.308   0.350   1.519  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -8.871  -0.752   2.162  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.053  -1.660   2.836  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.672  -1.462   2.874  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.106  -0.360   2.232  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 12