REMARK  Name = BDB021421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.498   0.945  -0.069  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        4.826  -0.282  -0.017  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        3.501  -0.433  -0.472  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        3.071  -1.719  -0.309  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        1.744  -2.066  -0.683  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        1.456  -1.684  -2.124  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.873  -0.352  -2.185  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        1.437   0.736  -1.526  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.807   1.788  -1.388  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.832   0.678  -0.999  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        3.511   1.916  -1.034  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        4.823   2.051  -0.577  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        6.909   1.071   0.448  0.00  0.00    +0.035 C 
BRANCH  13  15
ATOM     14  C   LIG    1        8.362   1.536   2.453  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        6.936   1.409   1.938  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  16
ATOM     16  C   LIG    1       -0.527  -0.244  -2.612  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.517  -0.529  -1.469  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.523  -1.938  -1.172  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -2.389  -2.090  -0.738  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.948  -0.106  -1.863  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.951  -0.565  -0.871  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.840   0.199   0.393  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.958  -0.080   1.376  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.177  -0.633   0.949  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.205  -0.856   1.875  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.034  -0.506   3.214  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.835   0.062   3.638  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.351  -1.044  -0.489  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -4.803   0.277   2.724  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.312  -0.397  -1.414  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   7  16
TORSDOF 7