REMARK  Name = BDB023616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.485   0.842   0.782  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.432   0.086   0.029  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.718   0.570  -0.245  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.672  -0.200  -1.118  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -4.132   0.083  -0.741  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.509  -0.533   0.619  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -5.879  -1.111   0.454  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -6.368  -0.786  -0.907  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -4.347   1.597  -0.681  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -3.361   2.328  -0.070  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -3.571   3.306   0.092  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -5.371   2.152  -1.075  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.097  -0.593  -1.719  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -2.089   1.831   0.226  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -1.194   2.607   0.955  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.081   2.109   1.238  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        3.942  -0.642   0.329  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.662  -0.150   0.046  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        1.832   0.324   1.074  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1        2.322   0.279   2.392  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.591  -0.234   2.679  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.401  -0.704   1.648  0.00  0.00    +0.013 A 
BRANCH  17  25
ATOM     23  C   LIG    1        6.602   0.509  -0.354  0.00  0.00    +0.132 C 
ATOM     24  N   LIG    1        6.080  -0.725  -0.924  0.00  0.00    -0.304 N 
ATOM     25  C   LIG    1        4.764  -1.166  -0.785  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1        4.241  -1.989  -1.533  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        6.912  -1.366  -1.927  0.00  0.00    +0.132 C 
ENDBRANCH  17  25
ENDBRANCH   1  19
BRANCH   7  28
ATOM     28  C   LIG    1       -6.684  -1.416   1.481  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -7.374  -1.676   2.372  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 3