REMARK  Name = BDB004399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.178  -0.750   0.254  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -2.188  -0.430   0.564  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -2.014   0.436   0.069  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -1.169  -1.355   0.585  0.00  0.00    +0.214 C 
ATOM      5  O   LIG    1       -1.329  -2.545   0.828  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -3.932  -1.356   2.079  0.00  0.00    +0.034 C 
ATOM      7  C   LIG    1       -3.590  -0.830   0.681  0.00  0.00    +0.119 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.495   0.326   0.272  0.00  0.00    +0.061 A 
ATOM      9  N   LIG    1       -5.072   0.244  -0.954  0.00  0.00    -0.258 NA
ATOM     10  C   LIG    1       -5.856   1.271  -1.352  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -6.086   2.402  -0.590  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.475   2.489   0.653  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.665   1.444   1.091  0.00  0.00    +0.025 A 
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1        1.313  -1.741   0.476  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.603  -1.153  -0.032  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        2.930  -1.453  -1.327  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        2.354  -2.070  -1.882  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1        4.061  -0.983  -1.944  0.00  0.00    +0.259 A 
ATOM     19  O   LIG    1        4.340  -1.273  -3.101  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        4.914  -0.106  -1.124  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.497   0.156   0.184  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1        5.288   0.983   0.983  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.471   1.536   0.482  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.874   1.264  -0.827  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.095   0.440  -1.637  0.00  0.00    +0.015 A 
ATOM     26  N   LIG    1        3.314  -0.380   0.722  0.00  0.00    -0.234 NA
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5