REMARK  Name = BDB047522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.387   0.477   0.113  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -2.963  -0.005  -0.008  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.531  -0.572   1.196  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.241  -1.064   1.345  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.365  -0.977   0.261  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.792  -0.378  -0.936  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.592  -0.484   2.249  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.088   0.126  -1.074  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.848  -0.251   1.400  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.289   0.264  -1.121  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.327   1.251  -2.314  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.551   1.150  -1.005  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.684  -1.199  -1.318  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.782  -1.662  -1.048  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.703  -1.972  -1.832  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -3.845  -1.524  -1.947  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.929  -1.419   0.236  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.458  -1.966   1.445  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.916  -2.371   1.221  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.837  -1.210   1.076  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        4.237  -0.276   2.009  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.944  -0.026   3.430  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        5.098   0.590   1.396  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.189   0.126   0.109  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.464  -0.951  -0.123  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.059   0.867  -0.801  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.192   0.442  -2.132  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.017   1.129  -3.026  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.720   2.254  -2.599  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.600   2.691  -1.282  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.774   2.002  -0.388  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9