REMARK  Name = BDB051900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.755   0.698   0.070  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.581  -0.716  -0.105  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -0.257  -1.028   0.224  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.238  -2.342   0.159  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -0.632  -3.357  -0.250  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.952  -3.074  -0.583  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        0.355   0.153   0.580  0.00  0.00    -0.345 N 
ATOM      8  C   LIG    1       -2.435  -1.763  -0.514  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.534   1.194   0.495  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.929   2.967   0.112  0.00  0.00    +0.091 C 
ATOM     11  C   LIG    1       -2.974   1.481  -0.151  0.00  0.00    +0.162 C 
ATOM     12  O   LIG    1       -4.020   0.962  -0.543  0.00  0.00    -0.292 OA
ENDBRANCH   1  11
BRANCH   7  13
ATOM     13  C   LIG    1        1.743   0.298   0.991  0.00  0.00    +0.133 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.673   0.443  -0.204  0.00  0.00    +0.142 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.088   0.602   0.260  0.00  0.00    +0.306 C 
ATOM     16  O   LIG    1        4.486   0.623   1.412  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        4.946   0.732  -0.769  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        5.828   0.825  -0.349  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   7  13
TORSDOF 5