REMARK  Name = BDB045884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.847  -0.352  -0.388  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1        2.702   0.618   0.627  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        1.740   0.433   1.643  0.00  0.00    +0.118 A 
ATOM      4  N   LIG    1        1.588   1.333   2.644  0.00  0.00    -0.251 NA
ATOM      5  C   LIG    1        2.371   2.432   2.659  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        3.333   2.698   1.709  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        0.952  -0.722   1.577  0.00  0.00    +0.170 A 
ATOM      8  C   LIG    1        1.044  -1.670   0.539  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1        3.498   1.778   0.683  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.035  -1.492  -0.428  0.00  0.00    +0.112 A 
ATOM     11 CL   LIG    1        2.299  -2.669  -1.674  0.00  0.00    -0.077 Cl
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        3.817  -0.159  -1.348  0.00  0.00    -0.505 OA
ATOM     13  H   LIG    1        3.807  -0.936  -1.937  0.00  0.00    +0.292 HD
ENDBRANCH   1  12
BRANCH   7  14
ATOM     14  O   LIG    1        0.029  -0.978   2.578  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1       -0.309  -1.872   2.373  0.00  0.00    +0.292 HD
ENDBRANCH   7  14
BRANCH   8  16
ATOM     16  N   LIG    1        0.162  -2.778   0.577  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1       -0.855  -2.818  -0.240  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.272  -1.819  -1.308  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.454  -0.475  -0.751  0.00  0.00    -0.293 NA
ATOM     20  C   LIG    1       -1.572   0.561  -1.797  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -3.012   1.046  -2.026  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -3.626   1.583  -0.848  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -3.086   1.042   0.367  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -2.592  -0.402   0.191  0.00  0.00    +0.113 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  16
TORSDOF 5