REMARK  Name = BDB050194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.602   0.671  -0.651  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1       -5.415   0.473  -0.465  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1       -4.452   1.428  -0.110  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1       -4.657   2.404   0.029  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1       -3.218   0.796   0.006  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -3.400  -0.553  -0.278  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -2.361  -1.449  -0.251  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -1.097  -0.937   0.076  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -0.893   0.436   0.373  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.988   1.319   0.331  0.00  0.00    +0.051 A 
ATOM     11  N   LIG    1       -4.744  -0.755  -0.565  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -5.196  -1.621  -0.810  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1        0.378   0.972   0.666  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        0.345   1.683   1.397  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.682   0.482   0.443  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        2.720   0.769   1.356  0.00  0.00    +0.064 A 
ATOM     17 CL   LIG    1        2.411   1.740   2.756  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        4.017   0.286   1.166  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1        4.293  -0.497   0.042  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1        3.287  -0.788  -0.887  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        1.993  -0.297  -0.681  0.00  0.00    +0.027 A 
BRANCH  19  22
ATOM     22  N   LIG    1        5.651  -1.012  -0.171  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        6.518  -0.707   0.660  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        5.848  -1.720  -1.168  0.00  0.00    -0.126 OA
ENDBRANCH  19  22
ENDBRANCH  13  15
ENDBRANCH   9  13
TORSDOF 3