REMARK  Name = BDB047567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.513   0.252  -0.486  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.306  -0.625  -0.234  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.124   0.077  -0.515  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.873  -0.520  -0.415  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.799  -1.853  -0.012  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.982  -2.557   0.267  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.417   1.474  -0.960  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.240  -1.953   0.152  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.842   1.649  -0.427  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.688   0.119   0.504  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.384   1.435  -0.949  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.742   1.243   0.419  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.399  -1.225   0.479  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.748  -1.806   1.499  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.672  -1.732  -0.739  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -6.393  -1.195  -1.501  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.342  -2.590   0.149  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.605  -1.959  -0.077  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.080  -1.225   1.175  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.291  -0.406   0.920  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.461   0.959   1.006  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.591   2.093   1.363  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.756   1.242   0.676  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.314   0.020   0.404  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.475  -0.991   0.532  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.722   0.007   0.016  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        7.349  -1.218  -0.274  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        8.694  -1.262  -0.650  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        9.419  -0.081  -0.736  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1       10.708  -0.122  -1.096  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        8.825   1.143  -0.455  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        7.479   1.187  -0.080  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9