REMARK  Name = BDB047500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.788   0.084  -0.696  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.513  -0.112   0.087  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -2.398  -0.037  -0.749  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.111  -0.237  -0.266  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -0.926  -0.514   1.096  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1       -2.055  -0.581   1.944  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -2.801   0.192  -2.172  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.353  -0.406   1.431  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.244   0.689  -2.013  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.956  -0.863   3.403  0.00  0.00    +0.164 C 
ATOM     11  O   LIG    1       -2.830  -1.537   3.948  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -0.812  -0.284   4.194  0.00  0.00    +0.092 C 
ENDBRANCH   6  10
BRANCH   1  13
ATOM     13  C   LIG    1       -5.925   0.835   0.034  0.00  0.00    +0.105 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.093   3.309  -0.102  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -5.604   2.163   0.753  0.00  0.00    +0.012 C 
ENDBRANCH  13  15
BRANCH  13  16
ATOM     16  C   LIG    1       -7.147   0.988  -0.851  0.00  0.00    +0.308 C 
ATOM     17  O   LIG    1       -7.194   0.958  -2.068  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -8.278   1.166  -0.139  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1       -8.981   1.244  -0.817  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  O   LIG    1        0.295  -0.766   1.663  0.00  0.00    -0.491 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.440  -0.809   0.806  0.00  0.00    +0.235 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.656  -1.150   1.663  0.00  0.00    +0.100 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.888  -1.313   0.853  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1        4.733  -2.397   0.742  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        4.774  -3.748   1.327  0.00  0.00    +0.088 C 
ATOM     26  O   LIG    1        5.729  -2.065  -0.131  0.00  0.00    -0.440 OA
ATOM     27  C   LIG    1        5.441  -0.778  -0.508  0.00  0.00    +0.228 A 
ATOM     28  N   LIG    1        4.348  -0.291   0.051  0.00  0.00    -0.214 NA
BRANCH  27  29
ATOM     29  C   LIG    1        6.356  -0.145  -1.453  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        7.490  -0.807  -1.948  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        8.350  -0.175  -2.851  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.086   1.127  -3.272  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.965   1.799  -2.791  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.106   1.167  -1.887  0.00  0.00    +0.013 A 
ENDBRANCH  27  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 10