REMARK  Name = BDB024479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.374  -0.306   1.385  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.339  -0.424   0.440  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.665  -0.929  -0.910  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.110   0.214  -1.831  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.529  -1.759  -1.500  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.263  -0.940  -1.589  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.966  -0.254  -0.287  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.645   0.185  -0.032  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.470   0.071  -0.830  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.460   0.623  -0.158  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1        1.015   1.096   1.057  0.00  0.00    -0.331 N 
ATOM     12  C   LIG    1        1.822   1.767   2.049  0.00  0.00    +0.150 C 
ATOM     13  C   LIG    1       -0.331   0.832   1.154  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -1.288   1.089   2.130  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.599   0.663   1.867  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -2.972  -0.005   0.687  0.00  0.00    +0.045 A 
ATOM     17  O   LIG    1       -5.264   0.015   2.563  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -7.691  -0.507   1.768  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1       -6.599  -0.607   0.852  0.00  0.00    -0.453 OA
ENDBRANCH   1  19
BRANCH  10  20
ATOM     20  C   LIG    1        2.872   0.732  -0.642  0.00  0.00    +0.082 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.719  -0.498  -0.256  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1        3.344  -1.743  -1.071  0.00  0.00    +0.013 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.204  -0.194  -0.397  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1        6.041  -0.266   0.727  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.404   0.017   0.619  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.948   0.374  -0.613  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.130   0.446  -1.738  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.767   0.164  -1.632  0.00  0.00    +0.004 A 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 4