REMARK  Name = BDB016557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.009  -0.440   1.484  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.090   0.217   0.617  0.00  0.00    +0.128 C 
ATOM      3  N   LIG    1       -1.545  -0.724  -0.439  0.00  0.00    -0.313 N 
ATOM      4  C   LIG    1       -1.710  -2.131  -0.017  0.00  0.00    +0.106 C 
ATOM      5  C   LIG    1       -1.784  -2.271   1.500  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.545  -1.690   2.190  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.700  -0.187  -1.054  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1       -3.925  -0.640  -0.711  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -4.999  -0.079  -1.313  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -4.920   0.934  -2.251  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.660   1.401  -2.595  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.540   0.836  -1.990  0.00  0.00    +0.043 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1        1.141  -0.838   0.621  0.00  0.00    -0.337 N 
ATOM     14  H   LIG    1        0.776  -1.097  -0.306  0.00  0.00    +0.146 HD
BRANCH  13  21
ATOM     15  C   LIG    1        5.866   2.253   0.659  0.00  0.00    +0.176 C 
ATOM     16  N   LIG    1        4.641   1.481   0.567  0.00  0.00    -0.231 N 
ATOM     17  C   LIG    1        4.183   1.053  -0.676  0.00  0.00    +0.287 A 
ATOM     18  O   LIG    1        4.746   1.328  -1.735  0.00  0.00    -0.265 OA
ATOM     19  C   LIG    1        2.934   0.238  -0.655  0.00  0.00    +0.129 A 
ATOM     20 CL   LIG    1        2.277  -0.239  -2.187  0.00  0.00    -0.076 Cl
ATOM     21  C   LIG    1        2.310  -0.089   0.486  0.00  0.00    +0.071 A 
ATOM     22  C   LIG    1        3.021   0.366   1.707  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        4.086   1.095   1.762  0.00  0.00    -0.175 NA
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3