REMARK  Name = BDB028504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.242  -0.489   0.232  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        4.730   0.161   1.523  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        3.232   0.463   1.492  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        2.449  -0.638   0.940  0.00  0.00    -0.286 N 
ATOM      5  C   LIG    1        1.169  -0.834   1.438  0.00  0.00    +0.302 C 
ATOM      6  N   LIG    1        0.497  -1.897   0.892  0.00  0.00    -0.297 N 
ATOM      7  H   LIG    1        1.102  -2.667   0.649  0.00  0.00    +0.150 HD
ATOM      8  O   LIG    1        0.656  -0.108   2.284  0.00  0.00    -0.253 OA
ATOM      9  C   LIG    1        2.925  -1.254  -0.302  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        4.181  -0.593  -0.863  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        5.666   2.352  -0.825  0.00  0.00    +0.131 C 
ATOM     12  N   LIG    1        6.734   1.384  -0.637  0.00  0.00    -0.307 N 
ATOM     13  C   LIG    1        6.581   0.056  -0.269  0.00  0.00    +0.218 C 
ATOM     14  O   LIG    1        7.527  -0.738  -0.342  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        8.026   1.789  -1.176  0.00  0.00    +0.131 C 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  C   LIG    1       -0.832  -2.288   1.358  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.929  -1.236   1.068  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.966  -0.274   2.128  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.037   0.004   2.292  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -3.311  -1.933   0.958  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.475  -1.157   0.490  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.340  -0.706  -0.903  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.530   0.101  -1.385  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.389   0.733  -0.468  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.464   1.501  -0.935  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.670   1.662  -2.305  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.809   1.054  -3.216  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.191   0.527   1.014  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.742   0.280  -2.760  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.794  -0.014   1.355  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 6