REMARK  Name = BDB037049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.055  -0.444  -0.509  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.113  -1.343  -0.564  0.00  0.00    +0.249 C 
ATOM      3  O   LIG    1        1.113  -2.481  -0.991  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.284  -0.670  -0.004  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        1.902   0.589   0.425  0.00  0.00    +0.072 A 
ATOM      6  N   LIG    1        2.733   1.484   0.990  0.00  0.00    -0.238 NA
ATOM      7  C   LIG    1        4.012   1.053   1.121  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1        4.482  -0.202   0.721  0.00  0.00    +0.041 A 
ATOM      9 CL   LIG    1        5.073   2.192   1.841  0.00  0.00    -0.062 Cl
ATOM     10  C   LIG    1        3.587  -1.099   0.136  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        0.434   0.790   0.174  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.586   1.328   0.624  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.680   0.661   0.134  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.344  -0.560   0.652  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.821  -0.752   1.525  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.071  -1.062   0.590  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.569  -1.608   1.570  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.328  -0.855  -0.743  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.082   0.070  -1.699  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -2.801   1.193  -0.971  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1