REMARK  Name = BDB050992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.546   0.454   0.571  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.479   0.934  -0.209  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.173   0.465   0.030  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        0.030  -0.473   1.037  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1        1.377  -0.754   1.060  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        1.812  -1.385   1.717  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        2.051  -0.038   0.094  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.011  -0.969   1.829  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.098   0.734  -0.549  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -2.301  -0.490   1.575  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        3.498  -0.129  -0.108  0.00  0.00    -0.000 A 
ATOM     12  C   LIG    1        4.177  -1.344   0.060  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.557  -1.410  -0.137  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        6.376  -2.910   0.073  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        6.279  -0.276  -0.502  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.613   0.935  -0.676  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.231   1.006  -0.481  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     18  C   LIG    1       -3.953   0.931   0.301  0.00  0.00    +0.046 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.631   0.068  -0.760  0.00  0.00    +0.125 C 
BRANCH  19  21
ATOM     20  O   LIG    1       -6.593   1.469  -0.474  0.00  0.00    -0.251 OA
ATOM     21  C   LIG    1       -6.038   0.536  -1.030  0.00  0.00    +0.305 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -6.652  -0.207  -1.982  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -6.093  -0.921  -2.343  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5