REMARK  Name = BDB051899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.504  -0.314  -0.702  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1       -1.559   0.555  -0.529  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -2.693  -0.223  -0.253  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -3.915   0.455  -0.031  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -3.970   1.853  -0.091  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.828   2.593  -0.367  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.284  -1.603  -0.268  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.606   1.959  -0.591  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.928  -1.603  -0.549  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -3.038  -2.841  -0.049  0.00  0.00    +0.162 C 
ATOM     11  O   LIG    1       -2.476  -3.939  -0.077  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -4.517  -2.779   0.218  0.00  0.00    +0.091 C 
ENDBRANCH   7  10
BRANCH   1  13
ATOM     13  C   LIG    1        0.870   0.061  -0.998  0.00  0.00    +0.133 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.657   0.355   0.270  0.00  0.00    +0.142 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.069   0.744  -0.070  0.00  0.00    +0.309 C 
ATOM     16  O   LIG    1        3.503   0.892  -1.203  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        3.783   0.912   1.078  0.00  0.00    -0.465 OA
BRANCH  17  19
ATOM     18  C   LIG    1        6.024   0.061   0.731  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        5.157   1.294   0.911  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6