REMARK  Name = BDB016553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.600  -0.320  -1.867  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1        0.685  -0.510  -2.867  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -4.499   0.093   0.349  0.00  0.00    +0.105 C 
ATOM      4  N   LIG    1       -3.144  -0.008  -0.191  0.00  0.00    -0.299 NA
ATOM      5  C   LIG    1       -2.340   1.204   0.058  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1       -1.142   1.185  -0.911  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -0.776  -0.231  -1.387  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1       -1.148  -1.386  -0.443  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -1.879   1.076   1.513  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -1.881  -0.422   1.786  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -2.344  -1.056   0.471  0.00  0.00    +0.058 C 
ENDBRANCH   1   7
BRANCH   1  12
ATOM     12  C   LIG    1        1.827  -0.227  -1.218  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        3.031  -0.353  -1.800  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        3.160  -0.660  -3.504  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        4.311  -0.241  -1.042  0.00  0.00    +0.287 A 
ATOM     16  O   LIG    1        5.399  -0.328  -1.611  0.00  0.00    -0.265 OA
ATOM     17  N   LIG    1        4.180  -0.039   0.328  0.00  0.00    -0.231 N 
ATOM     18  C   LIG    1        5.361   0.113   1.158  0.00  0.00    +0.176 C 
ATOM     19  N   LIG    1        2.978   0.130   0.963  0.00  0.00    -0.175 NA
ATOM     20  C   LIG    1        1.911   0.040   0.239  0.00  0.00    +0.157 A 
ENDBRANCH   1  12
TORSDOF 2