REMARK  Name = BDB021623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.324   0.294   0.572  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -3.731  -0.978   0.614  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.375  -1.202   0.293  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -2.065  -2.524   0.421  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.966  -2.999  -0.335  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.322  -2.501   0.278  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.730  -1.239  -0.316  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.087  -0.112  -0.378  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.423   0.971  -0.690  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.557  -0.124  -0.060  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -2.167   1.153  -0.116  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -3.518   1.362   0.186  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -6.221   1.844   1.368  0.00  0.00    +0.029 C 
ATOM     14  C   LIG    1       -5.807   0.433   0.913  0.00  0.00    +0.084 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -6.652  -0.144  -0.149  0.00  0.00    -0.291 NA
ATOM     16  C   LIG    1       -8.055  -0.370   0.242  0.00  0.00    +0.113 C 
ATOM     17  C   LIG    1       -9.049   0.556  -0.477  0.00  0.00    +0.175 C 
ATOM     18  O   LIG    1       -8.990   0.455  -1.905  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1       -7.694   0.083  -2.392  0.00  0.00    +0.175 C 
ATOM     20  C   LIG    1       -6.554   0.523  -1.460  0.00  0.00    +0.113 C 
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  C   LIG    1        2.175  -1.065  -0.577  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.932  -0.472   0.632  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.727   0.940   0.766  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.910   1.164   0.268  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        4.449  -0.780   0.581  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.122  -0.536  -0.714  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        6.513  -1.032  -0.695  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        7.503  -0.154   0.042  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.243   1.213   0.247  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        8.190   2.011   0.901  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.399   1.463   1.329  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.668   0.114   1.110  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.922   1.808  -0.178  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        8.727  -0.691   0.467  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.136   0.883  -1.119  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7