REMARK  Name = BDB047168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.528  -1.069  -0.031  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.597  -0.472  -0.900  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.451  -1.199  -1.494  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.554  -2.568  -1.238  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.362  -3.187  -0.395  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.388  -2.446   0.201  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.911   1.932   0.119  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -2.646   1.075   0.579  0.00  0.00    +0.258 C 
ATOM      9  N   LIG    1       -2.567  -0.305   0.587  0.00  0.00    -0.202 N 
ATOM     10  C   LIG    1       -3.627  -0.836   1.298  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1       -3.949  -1.983   1.553  0.00  0.00    -0.269 OA
ATOM     12  C   LIG    1       -4.443   0.283   1.756  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -5.611   0.295   2.496  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -6.175   1.541   2.787  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.566   2.730   2.337  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.385   2.689   1.590  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.850   1.444   1.316  0.00  0.00    +0.050 A 
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1        1.434  -0.514  -2.416  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.880  -0.651  -1.955  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        3.403   0.218  -0.869  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        4.727   0.020  -0.481  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        5.298   0.794   0.538  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        4.537   1.775   1.172  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.213   1.980   0.787  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.529  -1.011  -1.158  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1        6.697  -1.220  -0.849  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        4.894  -1.715  -2.151  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        5.432  -2.431  -2.629  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1        2.645   1.207  -0.231  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        3.604  -1.556  -2.547  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 3