REMARK  Name = BDB001023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.673  -0.648   0.381  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.350   0.303   0.437  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        1.659  -0.122   0.277  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        2.908   0.618   0.267  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.922  -0.239   0.085  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        3.455  -1.659  -0.052  0.00  0.00    +0.073 C 
ATOM      7  C   LIG    1        5.288   0.267   0.019  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1        5.488   1.658   0.142  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        6.775   2.200   0.070  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        7.870   1.357  -0.120  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.681  -0.021  -0.235  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.312   2.563   0.346  0.00  0.00    +0.257 A 
ATOM     13  O   LIG    1        4.444   3.775   0.460  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        6.396  -0.566  -0.166  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1        3.072   1.958   0.395  0.00  0.00    -0.321 N 
ATOM     16  H   LIG    1        2.273   2.567   0.524  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.965  -1.479   0.075  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        0.968  -2.433   0.011  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -0.356  -2.007   0.164  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  22
ATOM     20  O   LIG    1       -2.031   1.983   0.846  0.00  0.00    -0.274 OA
ATOM     21  C   LIG    1       -2.612   0.906   0.758  0.00  0.00    +0.231 C 
ATOM     22  N   LIG    1       -2.034  -0.332   0.540  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -2.712  -1.087   0.471  0.00  0.00    +0.155 HD
BRANCH  21  24
ATOM     24  C   LIG    1       -4.133   0.809   0.952  0.00  0.00    +0.181 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.707  -0.354   0.223  0.00  0.00    -0.290 NA
ATOM     26  C   LIG    1       -6.066  -0.642   0.741  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1       -6.918  -1.408  -0.280  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -7.164  -0.654  -1.475  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -6.151   0.325  -1.744  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -4.763  -0.105  -1.242  0.00  0.00    +0.113 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 3